N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C11H19N3O2 — CID 47213767

IUPACN-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H19N3O2/c1-8(2)9-7-10(14-13-9)11(15)12-5-4-6-16-3/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyBBZSRXNJSGOIRD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.30
Rot. Bonds6

About N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 47213767) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID47213767
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H19N3O2/c1-8(2)9-7-10(14-13-9)11(15)12-5-4-6-16-3/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyBBZSRXNJSGOIRD-UHFFFAOYSA-N
XLogP1.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-pyrazole-3-carboxamide
CID 87016232
N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47245043
N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78861290
N-[(4-chlorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244745
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508401
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 91639549
N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide
CID 47338201
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 124863305
(2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695591
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244860
3-(3-methoxypropylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65368308
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 47213767) is N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is COCCCNC(=O)c1cc(C(C)C)[nH]n1.
What is the InChIKey of N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is BBZSRXNJSGOIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)9-7-10(14-13-9)11(15)12-5-4-6-16-3/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47213767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).