N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide

C13H16N4O — CID 114252349

IUPACN-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide
SMILESCCn1ccc(NC(=O)c2ccc(NC)cc2)n1
InChIInChI=1S/C13H16N4O/c1-3-17-9-8-12(16-17)15-13(18)10-4-6-11(14-2)7-5-10/h4-9,14H,3H2,1-2H3,(H,15,16,18)
InChIKeyMBCFBKRBBBGIAI-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.20
Rot. Bonds4

About N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide

N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide (PubChem CID 114252349) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide
PubChem CID114252349
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide
SMILESCCn1ccc(NC(=O)c2ccc(NC)cc2)n1
InChIInChI=1S/C13H16N4O/c1-3-17-9-8-12(16-17)15-13(18)10-4-6-11(14-2)7-5-10/h4-9,14H,3H2,1-2H3,(H,15,16,18)
InChIKeyMBCFBKRBBBGIAI-UHFFFAOYSA-N
XLogP2.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-(1-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 114251518
N-(1-ethylpyrazol-3-yl)pyridine-3-carboxamide
CID 35286222
3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide
CID 114251537
4-cyano-N-(1-propylpyrazol-3-yl)benzamide
CID 53017153
N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114252342
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
CID 5303395
4-tert-butyl-N-[1-(cyanomethyl)pyrazol-3-yl]benzamide
CID 95754984
N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide
CID 130927400

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide (CID 114252349) is N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide is CCn1ccc(NC(=O)c2ccc(NC)cc2)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide?
The InChIKey is MBCFBKRBBBGIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-17-9-8-12(16-17)15-13(18)10-4-6-11(14-2)7-5-10/h4-9,14H,3H2,1-2H3,(H,15,16,18).
What are the key properties of N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide?
N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide has a molecular weight of 244.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide is sourced from PubChem (CID 114252349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).