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

C17H15ClN6O — CID 168927813

IUPAC3-amino-5-[2-(5-chloro-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide
SMILESCn1ncc2c(C#Cc3[nH]nc(N)c3C(N)=O)c(Cl)cc(C3CC3)c21
InChIInChI=1S/C17H15ClN6O/c1-24-15-10(8-2-3-8)6-12(18)9(11(15)7-21-24)4-5-13-14(17(20)25)16(19)23-22-13/h6-8H,2-3H2,1H3,(H2,20,25)(H3,19,22,23)
InChIKeyTVCVDTNCXHXODH-UHFFFAOYSA-N
MW354.80 g/mol
LogP1.91
Rot. Bonds2

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

3-amino-5-[2-(5-chloro-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide (PubChem CID 168927813) has the molecular formula C17H15ClN6O and a molecular weight of 354.80 g/mol. Its IUPAC name is 3-amino-5-[2-(5-chloro-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-(5-chloro-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide
PubChem CID168927813
Molecular FormulaC17H15ClN6O
Molecular Weight354.80 g/mol
Exact Mass354.10
IUPAC Name3-amino-5-[2-(5-chloro-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide
SMILESCn1ncc2c(C#Cc3[nH]nc(N)c3C(N)=O)c(Cl)cc(C3CC3)c21
InChIInChI=1S/C17H15ClN6O/c1-24-15-10(8-2-3-8)6-12(18)9(11(15)7-21-24)4-5-13-14(17(20)25)16(19)23-22-13/h6-8H,2-3H2,1H3,(H2,20,25)(H3,19,22,23)
InChIKeyTVCVDTNCXHXODH-UHFFFAOYSA-N
XLogP1.91
TPSA115.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 51.91
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-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-[2-(5-chloro-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide (CID 168927813) is 3-amino-5-[2-(5-chloro-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[2-(5-chloro-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[2-(5-chloro-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide is Cn1ncc2c(C#Cc3[nH]nc(N)c3C(N)=O)c(Cl)cc(C3CC3)c21.
What is the InChIKey of 3-amino-5-[2-(5-chloro-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide?
The InChIKey is TVCVDTNCXHXODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O/c1-24-15-10(8-2-3-8)6-12(18)9(11(15)7-21-24)4-5-13-14(17(20)25)16(19)23-22-13/h6-8H,2-3H2,1H3,(H2,20,25)(H3,19,22,23).
What are the key properties of 3-amino-5-[2-(5-chloro-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide?
3-amino-5-[2-(5-chloro-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 1.91, 2 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-7-cyclopropyl-1-methylindazol-4-yl)ethynyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 168927813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).