1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine

C13H18N4 — CID 62178948

IUPAC1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN(C)c1ccccc1
InChIInChI=1S/C13H18N4/c1-10-12(13(14)17(3)15-10)9-16(2)11-7-5-4-6-8-11/h4-8H,9,14H2,1-3H3
InChIKeyAYKOGPQFNKZPID-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.95
Rot. Bonds3

About 1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine

1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine (PubChem CID 62178948) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine
PubChem CID62178948
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN(C)c1ccccc1
InChIInChI=1S/C13H18N4/c1-10-12(13(14)17(3)15-10)9-16(2)11-7-5-4-6-8-11/h4-8H,9,14H2,1-3H3
InChIKeyAYKOGPQFNKZPID-UHFFFAOYSA-N
XLogP1.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylaminomethyl)-1,3-dimethylpyrazol-5-amine
CID 62178598
1,3-dimethyl-4-[[methyl(propyl)amino]methyl]pyrazol-5-amine
CID 62182033
4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine
CID 62209553
1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine
CID 62208977
4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
CID 63784911
1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine
CID 55046319
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine
CID 167861737
4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
CID 66124755
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine
CID 55046428
1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
CID 62188450
aniline;N-benzyl-N-methylaniline
CID 163577424
1,3-dimethyl-4-[(4-methylphenoxy)methyl]pyrazol-5-amine
CID 62195674

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine (CID 62178948) is 1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine is Cc1nn(C)c(N)c1CN(C)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine?
The InChIKey is AYKOGPQFNKZPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-12(13(14)17(3)15-10)9-16(2)11-7-5-4-6-8-11/h4-8H,9,14H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine?
1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine has a molecular weight of 230.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine is sourced from PubChem (CID 62178948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).