N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide

C16H19N3O2 — CID 95756236

IUPACN-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1OCn1ccc(C(=O)NCC2CC2)n1
InChIInChI=1S/C16H19N3O2/c1-12-4-2-3-5-15(12)21-11-19-9-8-14(18-19)16(20)17-10-13-6-7-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,17,20)
InChIKeySIQPVNVJYMVXOG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.37
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide

N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 95756236) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID95756236
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1OCn1ccc(C(=O)NCC2CC2)n1
InChIInChI=1S/C16H19N3O2/c1-12-4-2-3-5-15(12)21-11-19-9-8-14(18-19)16(20)17-10-13-6-7-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,17,20)
InChIKeySIQPVNVJYMVXOG-UHFFFAOYSA-N
XLogP2.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 95756234
1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19277357
1-[(2-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 19277504
N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19584803
N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277353
1-[(2-methylphenoxy)methyl]-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19277551
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277385
N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325897
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277379
N-(2,6-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4864754
N-(2-cyanophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277503
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277534

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide (CID 95756236) is N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide is Cc1ccccc1OCn1ccc(C(=O)NCC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is SIQPVNVJYMVXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-4-2-3-5-15(12)21-11-19-9-8-14(18-19)16(20)17-10-13-6-7-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,17,20).
What are the key properties of N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 95756236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).