N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine

C17H14ClN7 — CID 2033394

IUPACN-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine
SMILESCc1cc(Nc2nnnn2-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14ClN7/c1-12-11-16(24(21-12)15-9-7-13(18)8-10-15)19-17-20-22-23-25(17)14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20,23)
InChIKeyJITYILRIPBORKF-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.55
Rot. Bonds4

About N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine

N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine (PubChem CID 2033394) has the molecular formula C17H14ClN7 and a molecular weight of 351.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine
PubChem CID2033394
Molecular FormulaC17H14ClN7
Molecular Weight351.80 g/mol
Exact Mass351.10
IUPAC NameN-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine
SMILESCc1cc(Nc2nnnn2-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14ClN7/c1-12-11-16(24(21-12)15-9-7-13(18)8-10-15)19-17-20-22-23-25(17)14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20,23)
InChIKeyJITYILRIPBORKF-UHFFFAOYSA-N
XLogP3.55
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
N-((3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-N'-(4-chlorophenyl)urea
CID 656949
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
Pyrazolourea, 1a
CID 25210518
N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741601
N-(3,4-dichlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815052
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 1810630
3-methyl-N,1-diphenyl-1H-pyrazol-5-amine
CID 867748
N,N'-bis(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 3240573
N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 15990007
KCa2 channel modulator 1
CID 16800218

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine (CID 2033394) is N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine is Cc1cc(Nc2nnnn2-c2ccccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine?
The InChIKey is JITYILRIPBORKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7/c1-12-11-16(24(21-12)15-9-7-13(18)8-10-15)19-17-20-22-23-25(17)14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20,23).
What are the key properties of N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine?
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine has a molecular weight of 351.80 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 2033394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).