N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

C20H19N3O2 — CID 19273362

IUPACN-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NC1CC1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O2/c24-20(21-17-8-9-17)19-12-13-23(22-19)14-25-18-10-6-16(7-11-18)15-4-2-1-3-5-15/h1-7,10-13,17H,8-9,14H2,(H,21,24)
InChIKeyDDGAKCHNOFVSRQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.48
Rot. Bonds6

About N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19273362) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19273362
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NC1CC1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O2/c24-20(21-17-8-9-17)19-12-13-23(22-19)14-25-18-10-6-16(7-11-18)15-4-2-1-3-5-15/h1-7,10-13,17H,8-9,14H2,(H,21,24)
InChIKeyDDGAKCHNOFVSRQ-UHFFFAOYSA-N
XLogP3.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273562
N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271179
1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide
CID 4774912
N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273323
1-[(4-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 4774524
1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide
CID 19271346
N-[2-(4-hydroxyphenyl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325440
N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325611
N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273397
1-[(4-tert-butylphenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19273730
N-(3-hydroxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273626
N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325576

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (CID 19273362) is N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is O=C(NC1CC1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is DDGAKCHNOFVSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(21-17-8-9-17)19-12-13-23(22-19)14-25-18-10-6-16(7-11-18)15-4-2-1-3-5-15/h1-7,10-13,17H,8-9,14H2,(H,21,24).
What are the key properties of N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19273362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).