4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine

C14H12ClN5 — CID 57207045

IUPAC4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine
SMILESClc1cccc(Nc2cn[nH]c2Nc2ccncc2)c1
InChIInChI=1S/C14H12ClN5/c15-10-2-1-3-12(8-10)18-13-9-17-20-14(13)19-11-4-6-16-7-5-11/h1-9,18H,(H2,16,17,19,20)
InChIKeyVALIIKXDFGHPPE-UHFFFAOYSA-N
MW285.74 g/mol
LogP3.95
Rot. Bonds4

About 4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine

4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine (PubChem CID 57207045) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine
PubChem CID57207045
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine
SMILESClc1cccc(Nc2cn[nH]c2Nc2ccncc2)c1
InChIInChI=1S/C14H12ClN5/c15-10-2-1-3-12(8-10)18-13-9-17-20-14(13)19-11-4-6-16-7-5-11/h1-9,18H,(H2,16,17,19,20)
InChIKeyVALIIKXDFGHPPE-UHFFFAOYSA-N
XLogP3.95
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
CID 2483894
(3-Chloro-4-fluoro-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-4-yl-amine
CID 11817879
N-(3-chloro-4-fluorophenyl)-1H-pyrazolo(4,3-b)pyridin-3-amine
CID 53375080
3-chloro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 86072889
5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
CID 155522806
1-(3-Chlorophenyl)-3-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)urea
CID 9535394
N-(4-chloro-2-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53373658
N-(5-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53373659
N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53373663
2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile
CID 53373666
N-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine
CID 53373766
N-(5-chloro-2-fluoro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53373875

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine (CID 57207045) is 4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine is Clc1cccc(Nc2cn[nH]c2Nc2ccncc2)c1.
What is the InChIKey of 4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine?
The InChIKey is VALIIKXDFGHPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c15-10-2-1-3-12(8-10)18-13-9-17-20-14(13)19-11-4-6-16-7-5-11/h1-9,18H,(H2,16,17,19,20).
What are the key properties of 4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine?
4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine has a molecular weight of 285.74 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 57207045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).