N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide

C15H17N3O — CID 110664769

IUPACN-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide
SMILESCn1ncc(NC(=O)C2CCC2)c1-c1ccccc1
InChIInChI=1S/C15H17N3O/c1-18-14(11-6-3-2-4-7-11)13(10-16-18)17-15(19)12-8-5-9-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,17,19)
InChIKeySGGOQWVBHMSFAX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.83
Rot. Bonds3

About N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide

N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide (PubChem CID 110664769) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide
PubChem CID110664769
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide
SMILESCn1ncc(NC(=O)C2CCC2)c1-c1ccccc1
InChIInChI=1S/C15H17N3O/c1-18-14(11-6-3-2-4-7-11)13(10-16-18)17-15(19)12-8-5-9-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,17,19)
InChIKeySGGOQWVBHMSFAX-UHFFFAOYSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122093530
N-(5-benzylsulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide
CID 139539414
5-methyl-1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122103131
4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664717
N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide
CID 145182676
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514251
2-[cyclopropylmethyl-[3-[(1-methyl-5-phenylpyrazol-4-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122093528
4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524602
1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 146086934
4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole
CID 110664784
N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide
CID 47074120

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide?
The IUPAC name of N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide (CID 110664769) is N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide is Cn1ncc(NC(=O)C2CCC2)c1-c1ccccc1.
What is the InChIKey of N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide?
The InChIKey is SGGOQWVBHMSFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18-14(11-6-3-2-4-7-11)13(10-16-18)17-15(19)12-8-5-9-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,17,19).
What are the key properties of N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide?
N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide is sourced from PubChem (CID 110664769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).