N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide

C11H19N3O2 — CID 107299585

IUPACN-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCC(C)O)cnn1C
InChIInChI=1S/C11H19N3O2/c1-8(15)5-4-6-12-11(16)10-7-13-14(3)9(10)2/h7-8,15H,4-6H2,1-3H3,(H,12,16)
InChIKeyTXSVGXYLXLZUON-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.62
Rot. Bonds5

About N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide

N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 107299585) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID107299585
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCC(C)O)cnn1C
InChIInChI=1S/C11H19N3O2/c1-8(15)5-4-6-12-11(16)10-7-13-14(3)9(10)2/h7-8,15H,4-6H2,1-3H3,(H,12,16)
InChIKeyTXSVGXYLXLZUON-UHFFFAOYSA-N
XLogP0.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
CID 19473967
N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107322076
N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 113364754
N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide
CID 106386535
(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381
N-(4-hydroxypentyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 107300375
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate
CID 113344254
1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103730649
N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 43419111
N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 62333069

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide (CID 107299585) is N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NCCCC(C)O)cnn1C.
What is the InChIKey of N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is TXSVGXYLXLZUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(15)5-4-6-12-11(16)10-7-13-14(3)9(10)2/h7-8,15H,4-6H2,1-3H3,(H,12,16).
What are the key properties of N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 107299585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).