N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide

C13H16N4O — CID 63085076

IUPACN-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
SMILESCNC(C)c1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O/c1-9(14-2)10-3-5-12(6-4-10)17-13(18)11-7-15-16-8-11/h3-9,14H,1-2H3,(H,15,16)(H,17,18)
InChIKeyDRPHBXGNNSBWJI-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.94
Rot. Bonds4

About N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide

N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 63085076) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID63085076
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
SMILESCNC(C)c1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O/c1-9(14-2)10-3-5-12(6-4-10)17-13(18)11-7-15-16-8-11/h3-9,14H,1-2H3,(H,15,16)(H,17,18)
InChIKeyDRPHBXGNNSBWJI-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-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61260747
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863
N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 60786492
4-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507626
N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
CID 62328004
5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 66157732
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507646
N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182293
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 60933546
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182109
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60787828

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide (CID 63085076) is N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide is CNC(C)c1ccc(NC(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DRPHBXGNNSBWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(14-2)10-3-5-12(6-4-10)17-13(18)11-7-15-16-8-11/h3-9,14H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide?
N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide 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 N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63085076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).