N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide

C14H18N4O — CID 60787998

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C14H18N4O/c1-18(2)10-12-6-4-3-5-11(12)7-15-14(19)13-8-16-17-9-13/h3-6,8-9H,7,10H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyDMVBEMVGZUPICK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.40
Rot. Bonds5

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 60787998) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID60787998
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C14H18N4O/c1-18(2)10-12-6-4-3-5-11(12)7-15-14(19)13-8-16-17-9-13/h3-6,8-9H,7,10H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyDMVBEMVGZUPICK-UHFFFAOYSA-N
XLogP1.40
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 60979424
N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 157071276
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787483
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60607130
N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 63078905
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
CID 24550322
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60975328
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 9069473
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17397618
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726
N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61273892
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 129396870

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 60787998) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide is CN(C)Cc1ccccc1CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DMVBEMVGZUPICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(2)10-12-6-4-3-5-11(12)7-15-14(19)13-8-16-17-9-13/h3-6,8-9H,7,10H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60787998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).