N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide

C12H19N3O3 — CID 111697762

IUPACN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC(O)COCC1CC1
InChIInChI=1S/C12H19N3O3/c1-15-11(4-5-14-15)12(17)13-6-10(16)8-18-7-9-2-3-9/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,13,17)
InChIKeyGMPIUPKJOGKDHI-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.06
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide (PubChem CID 111697762) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
PubChem CID111697762
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC(O)COCC1CC1
InChIInChI=1S/C12H19N3O3/c1-15-11(4-5-14-15)12(17)13-6-10(16)8-18-7-9-2-3-9/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,13,17)
InChIKeyGMPIUPKJOGKDHI-UHFFFAOYSA-N
XLogP-0.06
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxyhexyl)-2-methylpyrazole-3-carboxamide
CID 137640519
[3-(cyclopropylmethoxy)-1-pyrrolidinyl](1-ethyl-1H-pyrazol-5-yl)methanone
CID 91919422
1-cyclopentyl-N-[(3-hydroxyoxolan-3-yl)methyl]pyrazole-3-carboxamide
CID 75389347
1-cyclopentyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 75483755
N-[(1S)-1-(aminocarbonyl)-3-methylbutyl]-1-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
CID 119060839
N-{(1S,2R)-2-hydroxy-1-[(prop-2-yn-1-ylamino)carbonyl]propyl}-1-isopropyl-1H-pyrazole-3-carboxamide
CID 119074079
N-{(1S,2R)-2-hydroxy-1-[(prop-2-yn-1-ylamino)carbonyl]propyl}-1-isopropyl-1H-pyrazole-5-carboxamide
CID 121494799
1-isopropyl-N-[rac-(3R,4R)-4-pyrrolidin-1-yltetrahydrofuran-3-yl]-1H-pyrazole-5-carboxamide
CID 121511864
1-propan-2-yl-N-[(2S)-1-(2,2,2-trifluoroethoxy)butan-2-yl]pyrazole-3-carboxamide
CID 125144517
N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 125519306
N-[(2S)-1-hydroxyhex-5-en-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 126454784
N-(2-cyclohexyloxyethyl)-2-propan-2-ylpyrazole-3-carboxamide
CID 132306875

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide (CID 111697762) is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCC(O)COCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is GMPIUPKJOGKDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15-11(4-5-14-15)12(17)13-6-10(16)8-18-7-9-2-3-9/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,13,17).
What are the key properties of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide?
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 111697762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).