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

C10H17N3O2 — CID 107318827

IUPACN-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCCCCCO
InChIInChI=1S/C10H17N3O2/c1-8-9(7-12-13-8)10(15)11-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H,11,15)(H,12,13)
InChIKeyGRMJBTXNBGONNM-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.61
Rot. Bonds6

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

N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 107318827) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID107318827
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCCCCCO
InChIInChI=1S/C10H17N3O2/c1-8-9(7-12-13-8)10(15)11-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H,11,15)(H,12,13)
InChIKeyGRMJBTXNBGONNM-UHFFFAOYSA-N
XLogP0.61
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381
N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77037575
5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 62307907
N-[3-(cyclopropylmethoxy)propyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 47078276
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
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
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 66174183
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103843692

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 107318827) is N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is GRMJBTXNBGONNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-9(7-12-13-8)10(15)11-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H,11,15)(H,12,13).
What are the key properties of N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107318827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).