2-anilino-N-(1-methylpyrazol-4-yl)acetamide

C12H14N4O — CID 54927465

IUPAC2-anilino-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)CNc2ccccc2)cn1
InChIInChI=1S/C12H14N4O/c1-16-9-11(7-14-16)15-12(17)8-13-10-5-3-2-4-6-10/h2-7,9,13H,8H2,1H3,(H,15,17)
InChIKeyWESDPMFJCNFWQT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.47
Rot. Bonds4

About 2-anilino-N-(1-methylpyrazol-4-yl)acetamide

2-anilino-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 54927465) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-anilino-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID54927465
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-anilino-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)CNc2ccccc2)cn1
InChIInChI=1S/C12H14N4O/c1-16-9-11(7-14-16)15-12(17)8-13-10-5-3-2-4-6-10/h2-7,9,13H,8H2,1H3,(H,15,17)
InChIKeyWESDPMFJCNFWQT-UHFFFAOYSA-N
XLogP1.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 55132216
N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
CID 79286309
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide
CID 102805405
3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
CID 60849362
4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
CID 155981643
(3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610026
1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43535051
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71703255
2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
2-anilino-N-(6-chloro-3-pyridinyl)acetamide
CID 81489216

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-anilino-N-(1-methylpyrazol-4-yl)acetamide (CID 54927465) is 2-anilino-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-anilino-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-anilino-N-(1-methylpyrazol-4-yl)acetamide is Cn1cc(NC(=O)CNc2ccccc2)cn1.
What is the InChIKey of 2-anilino-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is WESDPMFJCNFWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-9-11(7-14-16)15-12(17)8-13-10-5-3-2-4-6-10/h2-7,9,13H,8H2,1H3,(H,15,17).
What are the key properties of 2-anilino-N-(1-methylpyrazol-4-yl)acetamide?
2-anilino-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 230.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 54927465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).