1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine

C14H15N5 — CID 107972517

IUPAC1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine
SMILESCn1cnc(-c2nn(C)c(N)c2-c2ccccc2)c1
InChIInChI=1S/C14H15N5/c1-18-8-11(16-9-18)13-12(14(15)19(2)17-13)10-6-4-3-5-7-10/h3-9H,15H2,1-2H3
InChIKeyKLOPASAURJFFGC-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.07
Rot. Bonds2

About 1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine

1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine (PubChem CID 107972517) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine
PubChem CID107972517
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine
SMILESCn1cnc(-c2nn(C)c(N)c2-c2ccccc2)c1
InChIInChI=1S/C14H15N5/c1-18-8-11(16-9-18)13-12(14(15)19(2)17-13)10-6-4-3-5-7-10/h3-9H,15H2,1-2H3
InChIKeyKLOPASAURJFFGC-UHFFFAOYSA-N
XLogP2.07
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
3-(5-iodothiophen-3-yl)-1-methyl-4-phenylpyrazol-5-amine
CID 79693966
3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336371
3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43629973
3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine
CID 79990533
4-(3,4-dimethylphenyl)-1-methyl-3-pyridin-2-ylpyrazol-5-amine
CID 62901484
4-(4-methoxyphenyl)-1-methyl-3-pyridin-2-ylpyrazol-5-amine
CID 62824966
3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336374
5-amino-1-methyl-4-phenylpyrazole-3-carboxylic acid
CID 82078910
3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80522035
4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336413

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine (CID 107972517) is 1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine is Cn1cnc(-c2nn(C)c(N)c2-c2ccccc2)c1.
What is the InChIKey of 1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine?
The InChIKey is KLOPASAURJFFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-18-8-11(16-9-18)13-12(14(15)19(2)17-13)10-6-4-3-5-7-10/h3-9H,15H2,1-2H3.
What are the key properties of 1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine?
1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine has a molecular weight of 253.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 107972517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).