N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine

C14H25N3 — CID 66024464

IUPACN-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCCn1nc(C)cc1CC1(CNC(C)C)CC1
InChIInChI=1S/C14H25N3/c1-5-17-13(8-12(4)16-17)9-14(6-7-14)10-15-11(2)3/h8,11,15H,5-7,9-10H2,1-4H3
InChIKeyJXZDBNFKGWVSLJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.53
Rot. Bonds6

About N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine

N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 66024464) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
PubChem CID66024464
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCCn1nc(C)cc1CC1(CNC(C)C)CC1
InChIInChI=1S/C14H25N3/c1-5-17-13(8-12(4)16-17)9-14(6-7-14)10-15-11(2)3/h8,11,15H,5-7,9-10H2,1-4H3
InChIKeyJXZDBNFKGWVSLJ-UHFFFAOYSA-N
XLogP2.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole
CID 66034904
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554959
N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002697
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 66058530
5-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-1-ethyl-3-methylpyrazole
CID 66049569
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 66058384
N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024898
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 104611319
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106830290
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol
CID 103564494
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine
CID 115337795

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine (CID 66024464) is N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine is CCn1nc(C)cc1CC1(CNC(C)C)CC1.
What is the InChIKey of N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is JXZDBNFKGWVSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-17-13(8-12(4)16-17)9-14(6-7-14)10-15-11(2)3/h8,11,15H,5-7,9-10H2,1-4H3.
What are the key properties of N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine?
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66024464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).