3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide

C19H17ClN6O — CID 168927555

IUPAC3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n[nH]c1C#Cc1c(Cl)cc(C2CC2)c2c1cnn2C1CC1
InChIInChI=1S/C19H17ClN6O/c20-14-7-12(9-1-2-9)17-13(8-23-26(17)10-3-4-10)11(14)5-6-15-16(19(22)27)18(21)25-24-15/h7-10H,1-4H2,(H2,22,27)(H3,21,24,25)
InChIKeyQKEBTYIHIWDTSX-UHFFFAOYSA-N
MW380.84 g/mol
LogP2.71
Rot. Bonds3

About 3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide

3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide (PubChem CID 168927555) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide
PubChem CID168927555
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n[nH]c1C#Cc1c(Cl)cc(C2CC2)c2c1cnn2C1CC1
InChIInChI=1S/C19H17ClN6O/c20-14-7-12(9-1-2-9)17-13(8-23-26(17)10-3-4-10)11(14)5-6-15-16(19(22)27)18(21)25-24-15/h7-10H,1-4H2,(H2,22,27)(H3,21,24,25)
InChIKeyQKEBTYIHIWDTSX-UHFFFAOYSA-N
XLogP2.71
TPSA115.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide (CID 168927555) is 3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide is NC(=O)c1c(N)n[nH]c1C#Cc1c(Cl)cc(C2CC2)c2c1cnn2C1CC1.
What is the InChIKey of 3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QKEBTYIHIWDTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c20-14-7-12(9-1-2-9)17-13(8-23-26(17)10-3-4-10)11(14)5-6-15-16(19(22)27)18(21)25-24-15/h7-10H,1-4H2,(H2,22,27)(H3,21,24,25).
What are the key properties of 3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide?
3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(5-chloro-1,7-dicyclopropylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 168927555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).