N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

C19H16ClN5O — CID 110204412

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C19H16ClN5O/c20-14-3-4-16-15(8-14)12(11-23-16)5-7-22-19(26)18-9-17(24-25-18)13-2-1-6-21-10-13/h1-4,6,8-11,23H,5,7H2,(H,22,26)(H,24,25)
InChIKeyAAAZTPWFCBJKBN-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.58
Rot. Bonds5

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 110204412) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID110204412
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C19H16ClN5O/c20-14-3-4-16-15(8-14)12(11-23-16)5-7-22-19(26)18-9-17(24-25-18)13-2-1-6-21-10-13/h1-4,6,8-11,23H,5,7H2,(H,22,26)(H,24,25)
InChIKeyAAAZTPWFCBJKBN-UHFFFAOYSA-N
XLogP3.58
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (CID 110204412) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(-c2cccnc2)n[nH]1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is AAAZTPWFCBJKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c20-14-3-4-16-15(8-14)12(11-23-16)5-7-22-19(26)18-9-17(24-25-18)13-2-1-6-21-10-13/h1-4,6,8-11,23H,5,7H2,(H,22,26)(H,24,25).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110204412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).