N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide

C19H19N5O2 — CID 127026647

IUPACN-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCNCC2)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C19H19N5O2/c25-18(17-15-3-1-2-4-16(15)22-23-17)21-14-7-5-13(6-8-14)19(26)24-11-9-20-10-12-24/h1-8,20H,9-12H2,(H,21,25)(H,22,23)
InChIKeyAMCAWACWPUJHLU-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.86
Rot. Bonds3

About N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide

N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 127026647) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID127026647
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCNCC2)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C19H19N5O2/c25-18(17-15-3-1-2-4-16(15)22-23-17)21-14-7-5-13(6-8-14)19(26)24-11-9-20-10-12-24/h1-8,20H,9-12H2,(H,21,25)(H,22,23)
InChIKeyAMCAWACWPUJHLU-UHFFFAOYSA-N
XLogP1.86
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide (CID 127026647) is N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(C(=O)N2CCNCC2)cc1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is AMCAWACWPUJHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(17-15-3-1-2-4-16(15)22-23-17)21-14-7-5-13(6-8-14)19(26)24-11-9-20-10-12-24/h1-8,20H,9-12H2,(H,21,25)(H,22,23).
What are the key properties of N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide?
N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 127026647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).