N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide

C10H17N3O2 — CID 107300381

IUPACN-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCCCC(C)O
InChIInChI=1S/C10H17N3O2/c1-7(14)4-3-5-11-10(15)9-6-12-13-8(9)2/h6-7,14H,3-5H2,1-2H3,(H,11,15)(H,12,13)
InChIKeySPJUELPZESMKGH-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.61
Rot. Bonds5

About N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 107300381) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID107300381
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCCCC(C)O
InChIInChI=1S/C10H17N3O2/c1-7(14)4-3-5-11-10(15)9-6-12-13-8(9)2/h6-7,14H,3-5H2,1-2H3,(H,11,15)(H,12,13)
InChIKeySPJUELPZESMKGH-UHFFFAOYSA-N
XLogP0.61
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-iodopropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114504025
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107318827
N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77037575
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585
5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 62307907
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 102700145
N-[3-(cyclopropylmethoxy)propyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 47078276
2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65218133
methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 103958201
N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998273
2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid
CID 79457991

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 107300381) is N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCCCC(C)O.
What is the InChIKey of N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is SPJUELPZESMKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(14)4-3-5-11-10(15)9-6-12-13-8(9)2/h6-7,14H,3-5H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107300381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).