N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C18H25N3O3 — CID 60508401

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cc(C(C)C)[nH]n2)cc1OC
InChIInChI=1S/C18H25N3O3/c1-5-8-24-16-7-6-13(9-17(16)23-4)11-19-18(22)15-10-14(12(2)3)20-21-15/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyYOHBELCZIXRVOG-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.26
Rot. Bonds8

About N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 60508401) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID60508401
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cc(C(C)C)[nH]n2)cc1OC
InChIInChI=1S/C18H25N3O3/c1-5-8-24-16-7-6-13(9-17(16)23-4)11-19-18(22)15-10-14(12(2)3)20-21-15/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyYOHBELCZIXRVOG-UHFFFAOYSA-N
XLogP3.26
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 87040686
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 46642727
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
CID 54776757
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567119
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 52608395
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid
CID 57411910
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112824285
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331555
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 60508401) is N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CCCOc1ccc(CNC(=O)c2cc(C(C)C)[nH]n2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YOHBELCZIXRVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-5-8-24-16-7-6-13(9-17(16)23-4)11-19-18(22)15-10-14(12(2)3)20-21-15/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60508401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).