N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid

C19H28N6O3 — CID 168894869

IUPACN-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid
SMILESCC1(NC(=O)O)CC1.COCc1cnc(Nc2cc(C3CCCC3)[nH]n2)cn1
InChIInChI=1S/C14H19N5O.C5H9NO2/c1-20-9-11-7-16-14(8-15-11)17-13-6-12(18-19-13)10-4-2-3-5-10;1-5(2-3-5)6-4(7)8/h6-8,10H,2-5,9H2,1H3,(H2,16,17,18,19);6H,2-3H2,1H3,(H,7,8)
InChIKeyFXWOIGKNLZEIRX-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.55
Rot. Bonds6

About N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid

N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid (PubChem CID 168894869) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid.

Molecular Properties

Compound NameN-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid
PubChem CID168894869
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC NameN-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid
SMILESCC1(NC(=O)O)CC1.COCc1cnc(Nc2cc(C3CCCC3)[nH]n2)cn1
InChIInChI=1S/C14H19N5O.C5H9NO2/c1-20-9-11-7-16-14(8-15-11)17-13-6-12(18-19-13)10-4-2-3-5-10;1-5(2-3-5)6-4(7)8/h6-8,10H,2-5,9H2,1H3,(H2,16,17,18,19);6H,2-3H2,1H3,(H,7,8)
InChIKeyFXWOIGKNLZEIRX-UHFFFAOYSA-N
XLogP3.55
TPSA125.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate
CID 168894858
[(1R,3S)-3-[3-[[2-(5-methylpyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616562
[(1S,2R,4R)-4-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169141977
[(1R,2S,4S)-2-fluoro-4-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142650
[(1R,3S)-3-[3-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616684
[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142182
[(1R,3S)-3-[3-[(3-methoxy-1,2,4-triazin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895247
[(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169141951
[(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142348
[(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 154616677
[(1R,2S,3R)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169143267
[(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169140858

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid?
The IUPAC name of N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid (CID 168894869) is N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid.
What is the SMILES notation for N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid?
The canonical SMILES for N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid is CC1(NC(=O)O)CC1.COCc1cnc(Nc2cc(C3CCCC3)[nH]n2)cn1.
What is the InChIKey of N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid?
The InChIKey is FXWOIGKNLZEIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.C5H9NO2/c1-20-9-11-7-16-14(8-15-11)17-13-6-12(18-19-13)10-4-2-3-5-10;1-5(2-3-5)6-4(7)8/h6-8,10H,2-5,9H2,1H3,(H2,16,17,18,19);6H,2-3H2,1H3,(H,7,8).
What are the key properties of N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid?
N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid has a molecular weight of 388.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid is sourced from PubChem (CID 168894869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).