4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine

C20H16ClN5 — CID 70901842

IUPAC4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine
SMILESClc1ccccc1-c1ccnc(NCc2cc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C20H16ClN5/c21-18-4-2-1-3-17(18)15-7-10-23-20(11-15)24-13-16-12-19(26-25-16)14-5-8-22-9-6-14/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyYOGZRTUWTLHGCD-UHFFFAOYSA-N
MW361.84 g/mol
LogP4.80
Rot. Bonds5

About 4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine

4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine (PubChem CID 70901842) has the molecular formula C20H16ClN5 and a molecular weight of 361.84 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine
PubChem CID70901842
Molecular FormulaC20H16ClN5
Molecular Weight361.84 g/mol
Exact Mass361.11
IUPAC Name4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine
SMILESClc1ccccc1-c1ccnc(NCc2cc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C20H16ClN5/c21-18-4-2-1-3-17(18)15-7-10-23-20(11-15)24-13-16-12-19(26-25-16)14-5-8-22-9-6-14/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyYOGZRTUWTLHGCD-UHFFFAOYSA-N
XLogP4.80
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine (CID 70901842) is 4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine is Clc1ccccc1-c1ccnc(NCc2cc(-c3ccncc3)n[nH]2)c1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine?
The InChIKey is YOGZRTUWTLHGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5/c21-18-4-2-1-3-17(18)15-7-10-23-20(11-15)24-13-16-12-19(26-25-16)14-5-8-22-9-6-14/h1-12H,13H2,(H,23,24)(H,25,26).
What are the key properties of 4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine?
4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine has a molecular weight of 361.84 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 70901842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).