N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide

C12H21N3O2 — CID 111444730

IUPACN-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1ccn[nH]1
InChIInChI=1S/C12H21N3O2/c1-3-6-12(17,7-4-2)9-13-11(16)10-5-8-14-15-10/h5,8,17H,3-4,6-7,9H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyGZNHBDCMJDUSEV-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.47
Rot. Bonds7

About N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide

N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide (PubChem CID 111444730) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide
PubChem CID111444730
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1ccn[nH]1
InChIInChI=1S/C12H21N3O2/c1-3-6-12(17,7-4-2)9-13-11(16)10-5-8-14-15-10/h5,8,17H,3-4,6-7,9H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyGZNHBDCMJDUSEV-UHFFFAOYSA-N
XLogP1.47
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

US10214537, Example 152
CID 132220332
1H-Pyrazole-3-carboxamide, N-(2-hydroxyethyl)-
CID 2061007
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 580065
1H-Pyrazole-3-carboxylic acid (methyl)(1,2,2,6,6-pentamethylpiperidin-4-yl)amide
CID 672567
4-(1H-pyrazole-5-carbonylamino)butanoic acid
CID 43355123
N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 53538100
(2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid
CID 81658947
(4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid
CID 169501706
N-[[1-[[[(2S)-2-hydroxy-4-methylpentanoyl]amino]methyl]cyclobutyl]methyl]-1H-pyrazole-5-carboxamide
CID 172994618
N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
CID 47342569
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 53524109

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide (CID 111444730) is N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide is CCCC(O)(CCC)CNC(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GZNHBDCMJDUSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-6-12(17,7-4-2)9-13-11(16)10-5-8-14-15-10/h5,8,17H,3-4,6-7,9H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide?
N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 111444730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).