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

C13H16N4O — CID 60787483

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O/c1-17(2)12-5-3-10(4-6-12)7-14-13(18)11-8-15-16-9-11/h3-6,8-9H,7H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyHWXHFFULNHIULV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.41
Rot. Bonds4

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

N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 60787483) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID60787483
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O/c1-17(2)12-5-3-10(4-6-12)7-14-13(18)11-8-15-16-9-11/h3-6,8-9H,7H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyHWXHFFULNHIULV-UHFFFAOYSA-N
XLogP1.41
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(1H-pyrazole-4-carbonylamino)methyl]benzenesulfonyl chloride
CID 55179604
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60755620
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 122157149
methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate
CID 60517999
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787998
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 37216605
[2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate
CID 174936365
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443698

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 60787483) is N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide is CN(C)c1ccc(CNC(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is HWXHFFULNHIULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(2)12-5-3-10(4-6-12)7-14-13(18)11-8-15-16-9-11/h3-6,8-9H,7H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60787483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).