4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide

C18H16N6O — CID 155151663

IUPAC4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C18H16N6O/c19-18(25)17-12(8-21-24-17)16-10-4-2-1-3-9(10)15-11-7-20-23-13(11)5-6-14(15)22-16/h5-8H,1-4H2,(H2,19,25)(H,20,23)(H,21,24)
InChIKeyCVUKYRYCJJULSJ-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.48
Rot. Bonds2

About 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide

4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide (PubChem CID 155151663) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide
PubChem CID155151663
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C18H16N6O/c19-18(25)17-12(8-21-24-17)16-10-4-2-1-3-9(10)15-11-7-20-23-13(11)5-6-14(15)22-16/h5-8H,1-4H2,(H2,19,25)(H,20,23)(H,21,24)
InChIKeyCVUKYRYCJJULSJ-UHFFFAOYSA-N
XLogP2.48
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 9934283
CID 9934283
CID 11690363
CID 11690363
CID 131704492
CID 131704492
CID 142445421
CID 142445421
CID 150939945
CID 150939945
CID 118933302
CID 118933302
CID 135505314
CID 135505314
CID 135642422
CID 135642422
CID 9886077
CID 9886077
CID 9945601
CID 9945601
CID 11651622
CID 11651622
CID 44419945
CID 44419945

Frequently Asked Questions

What is the IUPAC name of 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide (CID 155151663) is 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.
What is the InChIKey of 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is CVUKYRYCJJULSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c19-18(25)17-12(8-21-24-17)16-10-4-2-1-3-9(10)15-11-7-20-23-13(11)5-6-14(15)22-16/h5-8H,1-4H2,(H2,19,25)(H,20,23)(H,21,24).
What are the key properties of 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide?
4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 155151663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).