N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide

C16H14N4O — CID 57410605

IUPACN-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(-c3ccn[nH]3)cc2cn1)C1CC1
InChIInChI=1S/C16H14N4O/c21-16(10-1-2-10)19-15-8-11-3-4-12(7-13(11)9-17-15)14-5-6-18-20-14/h3-10H,1-2H2,(H,18,20)(H,17,19,21)
InChIKeyFTBRHXCAMHBFDF-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.97
Rot. Bonds3

About N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 57410605) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID57410605
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(-c3ccn[nH]3)cc2cn1)C1CC1
InChIInChI=1S/C16H14N4O/c21-16(10-1-2-10)19-15-8-11-3-4-12(7-13(11)9-17-15)14-5-6-18-20-14/h3-10H,1-2H2,(H,18,20)(H,17,19,21)
InChIKeyFTBRHXCAMHBFDF-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 57410605) is N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide is O=C(Nc1cc2ccc(-c3ccn[nH]3)cc2cn1)C1CC1.
What is the InChIKey of N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is FTBRHXCAMHBFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(10-1-2-10)19-15-8-11-3-4-12(7-13(11)9-17-15)14-5-6-18-20-14/h3-10H,1-2H2,(H,18,20)(H,17,19,21).
What are the key properties of N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 57410605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).