N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine

C13H11ClN4 — CID 59618941

IUPACN-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1[nH]nc2ccnc(Nc3ccc(Cl)cc3)c12
InChIInChI=1S/C13H11ClN4/c1-8-12-11(18-17-8)6-7-15-13(12)16-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyWZKYGWSUFZJVRY-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.66
Rot. Bonds2

About N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine

N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 59618941) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID59618941
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC NameN-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1[nH]nc2ccnc(Nc3ccc(Cl)cc3)c12
InChIInChI=1S/C13H11ClN4/c1-8-12-11(18-17-8)6-7-15-13(12)16-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyWZKYGWSUFZJVRY-UHFFFAOYSA-N
XLogP3.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzylamino-4-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327835
3-(3-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327844
3-(4-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327846
4-Benzylamino-3-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327848
Pyrazine-Pyridine Biheteroaryl 57
CID 5330391
1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 71555392
6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168268921
Pyrazolopyrimidine deriv. 6
CID 5327822
N-(3-chlorophenyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327839
Diarylurea deriv. 14a
CID 5330597
N-[4-chloro-2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24971379
1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 24971415

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine (CID 59618941) is N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine is Cc1[nH]nc2ccnc(Nc3ccc(Cl)cc3)c12.
What is the InChIKey of N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is WZKYGWSUFZJVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-8-12-11(18-17-8)6-7-15-13(12)16-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine?
N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 258.71 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 59618941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).