N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide

C10H17N3O2 — CID 110484276

IUPACN-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCCCO)n[nH]1
InChIInChI=1S/C10H17N3O2/c1-8-7-9(13-12-8)10(15)11-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H,11,15)(H,12,13)
InChIKeyTXVVPMDZOCNVNW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.61
Rot. Bonds6

About N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide

N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 110484276) 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-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID110484276
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCCCO)n[nH]1
InChIInChI=1S/C10H17N3O2/c1-8-7-9(13-12-8)10(15)11-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H,11,15)(H,12,13)
InChIKeyTXVVPMDZOCNVNW-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-(6-bromohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 141446683
methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate
CID 86848865
N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484320
N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 130978682
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107318827
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 66174202
N-[2-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 112529158
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 81367172
N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78861290

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 110484276) is N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NCCCCCO)n[nH]1.
What is the InChIKey of N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is TXVVPMDZOCNVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-7-9(13-12-8)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-3-carboxamide?
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-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-3-carboxamide is sourced from PubChem (CID 110484276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).