4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

C13H16N4O — CID 106218102

IUPAC4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O/c1-9(11-7-15-16-8-11)17-13(18)10-3-5-12(14-2)6-4-10/h3-9,14H,1-2H3,(H,15,16)(H,17,18)
InChIKeyJFMXRSSHDCYPMW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.94
Rot. Bonds4

About 4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 106218102) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID106218102
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O/c1-9(11-7-15-16-8-11)17-13(18)10-3-5-12(14-2)6-4-10/h3-9,14H,1-2H3,(H,15,16)(H,17,18)
InChIKeyJFMXRSSHDCYPMW-UHFFFAOYSA-N
XLogP1.94
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855985
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
CID 103856354
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218044
3,6-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]benzoic acid
CID 106208660
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103856090
6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103856069
4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856688
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855919

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 106218102) is 4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is CNc1ccc(C(=O)NC(C)c2cn[nH]c2)cc1.
What is the InChIKey of 4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is JFMXRSSHDCYPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(11-7-15-16-8-11)17-13(18)10-3-5-12(14-2)6-4-10/h3-9,14H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 106218102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).