N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide

C20H23N5O2 — CID 121279597

IUPACN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccc4cc[nH]c4c3)C2)n[nH]1
InChIInChI=1S/C20H23N5O2/c1-12(2)16-10-18(24-23-16)20(27)25-8-6-15(11-25)22-19(26)14-4-3-13-5-7-21-17(13)9-14/h3-5,7,9-10,12,15,21H,6,8,11H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyQHEGYMNPXHQSPZ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.66
Rot. Bonds4

About N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide

N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide (PubChem CID 121279597) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide
PubChem CID121279597
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccc4cc[nH]c4c3)C2)n[nH]1
InChIInChI=1S/C20H23N5O2/c1-12(2)16-10-18(24-23-16)20(27)25-8-6-15(11-25)22-19(26)14-4-3-13-5-7-21-17(13)9-14/h3-5,7,9-10,12,15,21H,6,8,11H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyQHEGYMNPXHQSPZ-UHFFFAOYSA-N
XLogP2.66
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide (CID 121279597) is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccc4cc[nH]c4c3)C2)n[nH]1.
What is the InChIKey of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide?
The InChIKey is QHEGYMNPXHQSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12(2)16-10-18(24-23-16)20(27)25-8-6-15(11-25)22-19(26)14-4-3-13-5-7-21-17(13)9-14/h3-5,7,9-10,12,15,21H,6,8,11H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide?
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 121279597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).