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

C14H17N3O — CID 110664720

IUPACN-(1-methyl-5-phenylpyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cnn(C)c1-c1ccccc1
InChIInChI=1S/C14H17N3O/c1-3-7-13(18)16-12-10-15-17(2)14(12)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,16,18)
InChIKeyCNQIARWMQVWUSO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.83
Rot. Bonds4

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

N-(1-methyl-5-phenylpyrazol-4-yl)butanamide (PubChem CID 110664720) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-methyl-5-phenylpyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(1-methyl-5-phenylpyrazol-4-yl)butanamide
PubChem CID110664720
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(1-methyl-5-phenylpyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cnn(C)c1-c1ccccc1
InChIInChI=1S/C14H17N3O/c1-3-7-13(18)16-12-10-15-17(2)14(12)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,16,18)
InChIKeyCNQIARWMQVWUSO-UHFFFAOYSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664717
2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664738
N-(1,5-dimethylpyrazol-4-yl)-3-phenylpropanamide
CID 19399602
2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
CID 105469697
1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122093530
1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide
CID 19410607
5-methyl-1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122103131
4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole
CID 110664784
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
N-[2-[3,5-bis[2-(butanoylamino)phenyl]phenyl]phenyl]butanamide
CID 102081724
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide
CID 895128
3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525069

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-phenylpyrazol-4-yl)butanamide?
The IUPAC name of N-(1-methyl-5-phenylpyrazol-4-yl)butanamide (CID 110664720) is N-(1-methyl-5-phenylpyrazol-4-yl)butanamide.
What is the SMILES notation for N-(1-methyl-5-phenylpyrazol-4-yl)butanamide?
The canonical SMILES for N-(1-methyl-5-phenylpyrazol-4-yl)butanamide is CCCC(=O)Nc1cnn(C)c1-c1ccccc1.
What is the InChIKey of N-(1-methyl-5-phenylpyrazol-4-yl)butanamide?
The InChIKey is CNQIARWMQVWUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-7-13(18)16-12-10-15-17(2)14(12)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,16,18).
What are the key properties of N-(1-methyl-5-phenylpyrazol-4-yl)butanamide?
N-(1-methyl-5-phenylpyrazol-4-yl)butanamide has a molecular weight of 243.31 g/mol, XLogP of 2.83, 4 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)butanamide is sourced from PubChem (CID 110664720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).