N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide

C14H18N4O — CID 110467140

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2ccnn2C)cc1
InChIInChI=1S/C14H18N4O/c1-17(2)12-6-4-11(5-7-12)10-15-14(19)13-8-9-16-18(13)3/h4-9H,10H2,1-3H3,(H,15,19)
InChIKeyLTTJHFWXGDFKFB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.42
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 110467140) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
PubChem CID110467140
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2ccnn2C)cc1
InChIInChI=1S/C14H18N4O/c1-17(2)12-6-4-11(5-7-12)10-15-14(19)13-8-9-16-18(13)3/h4-9H,10H2,1-3H3,(H,15,19)
InChIKeyLTTJHFWXGDFKFB-UHFFFAOYSA-N
XLogP1.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 113228891
2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 174965768
2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
CID 106385466
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]benzoic acid
CID 60894251
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide
CID 17452742
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 32755354
4-(dimethylamino)-N-(2-methylpyrazol-3-yl)benzamide
CID 110473266
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide (CID 110467140) is N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide is CN(C)c1ccc(CNC(=O)c2ccnn2C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is LTTJHFWXGDFKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)12-6-4-11(5-7-12)10-15-14(19)13-8-9-16-18(13)3/h4-9H,10H2,1-3H3,(H,15,19).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110467140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).