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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Related Compounds

2,4-bis(2-chlorophenyl)pyridine
CID 134843363
4-[2-[[3-(4-aminophenyl)-1H-pyrazol-5-yl]methylamino]-4-pyridinyl]-3-methylbenzonitrile
CID 89082807
4-[2-[[3-(1-hydroxypyridin-1-ium-4-yl)-1H-pyrazol-5-yl]methylamino]-4-pyridinyl]-3-methylbenzonitrile
CID 143979739
4-[2-[[3-[4-(dimethylaminosulfanyl)phenyl]-1H-pyrazol-5-yl]methylamino]-4-pyridinyl]-3-methylbenzonitrile
CID 143979737
[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol
CID 75436061
N-benzyl-4-(1H-imidazol-5-yl)pyridin-2-amine
CID 20561064
[4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 70901603
N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008238
5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571090
2-[4-[(3-phenyl-1H-pyrazol-5-yl)methylamino]phenyl]acetonitrile
CID 75522343
ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine
CID 144864305
3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine
CID 167816200

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).