10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine

C14H9ClN4 — CID 118711124

IUPAC10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine
SMILESNc1cc2[nH]ncc2c2c1ncc1ccc(Cl)cc12
InChIInChI=1S/C14H9ClN4/c15-8-2-1-7-5-17-14-11(16)4-12-10(6-18-19-12)13(14)9(7)3-8/h1-6H,16H2,(H,18,19)
InChIKeyWEOQQWMMYSFSHR-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.50
Rot. Bonds

About 10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine

10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine (PubChem CID 118711124) has the molecular formula C14H9ClN4 and a molecular weight of 268.71 g/mol. Its IUPAC name is 10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine.

Molecular Properties

Compound Name10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine
PubChem CID118711124
Molecular FormulaC14H9ClN4
Molecular Weight268.71 g/mol
Exact Mass268.05
IUPAC Name10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine
SMILESNc1cc2[nH]ncc2c2c1ncc1ccc(Cl)cc12
InChIInChI=1S/C14H9ClN4/c15-8-2-1-7-5-17-14-11(16)4-12-10(6-18-19-12)13(14)9(7)3-8/h1-6H,16H2,(H,18,19)
InChIKeyWEOQQWMMYSFSHR-UHFFFAOYSA-N
XLogP3.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(5,6-dichloro-3-pyridinyl)-1-(1H-indazol-5-yl)methanimine
CID 77844771
7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 150584799
4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155523951
6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155529949
6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155533987
6-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155545063
N-[(3-chloro-5-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734048
3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
CID 166551405
5-Nitro-3H-pyrazolo[4,3-a]phenanthridine
CID 101898720
10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine
CID 118711717
8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine
CID 118711718
6-[2-[(3,6-dichloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155531322

Frequently Asked Questions

What is the IUPAC name of 10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine?
The IUPAC name of 10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine (CID 118711124) is 10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine.
What is the SMILES notation for 10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine?
The canonical SMILES for 10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine is Nc1cc2[nH]ncc2c2c1ncc1ccc(Cl)cc12.
What is the InChIKey of 10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine?
The InChIKey is WEOQQWMMYSFSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4/c15-8-2-1-7-5-17-14-11(16)4-12-10(6-18-19-12)13(14)9(7)3-8/h1-6H,16H2,(H,18,19).
What are the key properties of 10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine?
10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine has a molecular weight of 268.71 g/mol, XLogP of 3.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-3H-pyrazolo[4,5-a]phenanthridin-5-amine is sourced from PubChem (CID 118711124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).