5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide

C18H29N3O2 — CID 126813188

IUPAC5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)c1C1CC1
InChIInChI=1S/C18H29N3O2/c1-2-8-21-17(15-6-7-15)16(11-20-21)18(23)19-10-13-4-3-5-14(9-13)12-22/h11,13-15,22H,2-10,12H2,1H3,(H,19,23)/t13-,14+/m0/s1
InChIKeyLWWGIPIEZVHEFK-UONOGXRCSA-N
MW319.45 g/mol
LogP2.70
Rot. Bonds7

About 5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide

5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 126813188) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide
PubChem CID126813188
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)c1C1CC1
InChIInChI=1S/C18H29N3O2/c1-2-8-21-17(15-6-7-15)16(11-20-21)18(23)19-10-13-4-3-5-14(9-13)12-22/h11,13-15,22H,2-10,12H2,1H3,(H,19,23)/t13-,14+/m0/s1
InChIKeyLWWGIPIEZVHEFK-UONOGXRCSA-N
XLogP2.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 146043233
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 126808268
5-cyclopropyl-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1-propylpyrazole-4-carboxamide
CID 167813973
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide
CID 138035484
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide
CID 45221264
5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119463223
methyl (E)-5-[[5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carbonyl]amino]pent-2-enoate
CID 146099949
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide
CID 138996410
2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120523713
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methylurea
CID 130921204
1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide
CID 97101008
N-(cyclobutylmethyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide
CID 97311808

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide (CID 126813188) is 5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is LWWGIPIEZVHEFK-UONOGXRCSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-2-8-21-17(15-6-7-15)16(11-20-21)18(23)19-10-13-4-3-5-14(9-13)12-22/h11,13-15,22H,2-10,12H2,1H3,(H,19,23)/t13-,14+/m0/s1.
What are the key properties of 5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide?
5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 126813188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).