1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine

C14H14ClN5 — CID 75517573

IUPAC1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine
SMILESCc1c(NCc2ncc[nH]2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C14H14ClN5/c1-10-13(18-9-14-16-5-6-17-14)8-19-20(10)12-4-2-3-11(15)7-12/h2-8,18H,9H2,1H3,(H,16,17)
InChIKeyWQSGWLIJLZUMJS-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.17
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine

1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine (PubChem CID 75517573) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine
PubChem CID75517573
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine
SMILESCc1c(NCc2ncc[nH]2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C14H14ClN5/c1-10-13(18-9-14-16-5-6-17-14)8-19-20(10)12-4-2-3-11(15)7-12/h2-8,18H,9H2,1H3,(H,16,17)
InChIKeyWQSGWLIJLZUMJS-UHFFFAOYSA-N
XLogP3.17
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine (CID 75517573) is 1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine is Cc1c(NCc2ncc[nH]2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine?
The InChIKey is WQSGWLIJLZUMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-10-13(18-9-14-16-5-6-17-14)8-19-20(10)12-4-2-3-11(15)7-12/h2-8,18H,9H2,1H3,(H,16,17).
What are the key properties of 1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine?
1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine has a molecular weight of 287.75 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine is sourced from PubChem (CID 75517573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).