5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide

C23H25N5O3 — CID 55794303

IUPAC5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)NCC3CCCO3)cc2)nn1-c1ccccc1
InChIInChI=1S/C23H25N5O3/c1-16-14-21(27-28(16)19-6-3-2-4-7-19)22(29)25-17-9-11-18(12-10-17)26-23(30)24-15-20-8-5-13-31-20/h2-4,6-7,9-12,14,20H,5,8,13,15H2,1H3,(H,25,29)(H2,24,26,30)
InChIKeyBFQNSXORZKEJAL-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.73
Rot. Bonds6

About 5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide

5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 55794303) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
PubChem CID55794303
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)NCC3CCCO3)cc2)nn1-c1ccccc1
InChIInChI=1S/C23H25N5O3/c1-16-14-21(27-28(16)19-6-3-2-4-7-19)22(29)25-17-9-11-18(12-10-17)26-23(30)24-15-20-8-5-13-31-20/h2-4,6-7,9-12,14,20H,5,8,13,15H2,1H3,(H,25,29)(H2,24,26,30)
InChIKeyBFQNSXORZKEJAL-UHFFFAOYSA-N
XLogP3.73
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 146125697
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide
CID 60556519
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 110372655

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide (CID 55794303) is 5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(NC(=O)NCC3CCCO3)cc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is BFQNSXORZKEJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16-14-21(27-28(16)19-6-3-2-4-7-19)22(29)25-17-9-11-18(12-10-17)26-23(30)24-15-20-8-5-13-31-20/h2-4,6-7,9-12,14,20H,5,8,13,15H2,1H3,(H,25,29)(H2,24,26,30).
What are the key properties of 5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide?
5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55794303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).