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

C23H23N5O2 — CID 19278925

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C23H23N5O2/c1-26(15-18-14-24-27(2)16-18)23(29)22-12-13-28(25-22)17-30-21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-14,16H,15,17H2,1-2H3
InChIKeyHMWRYTYMJZWZLE-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.59
Rot. Bonds7

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

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19278925) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19278925
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C23H23N5O2/c1-26(15-18-14-24-27(2)16-18)23(29)22-12-13-28(25-22)17-30-21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-14,16H,15,17H2,1-2H3
InChIKeyHMWRYTYMJZWZLE-UHFFFAOYSA-N
XLogP3.59
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278361
N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 4776957
3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19623624
1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19278731
N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19328190
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19278649
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19278648
1-[(4-tert-butylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278943
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991146
N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273362
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273335
N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325715

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (CID 19278925) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is HMWRYTYMJZWZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-26(15-18-14-24-27(2)16-18)23(29)22-12-13-28(25-22)17-30-21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-14,16H,15,17H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19278925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).