3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide

C21H29N5O — CID 166249754

IUPAC3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide
SMILESCC(C)c1cc(C2CCCN(C(=O)Nc3ccc4c(c3)CCCN4)C2)[nH]n1
InChIInChI=1S/C21H29N5O/c1-14(2)19-12-20(25-24-19)16-6-4-10-26(13-16)21(27)23-17-7-8-18-15(11-17)5-3-9-22-18/h7-8,11-12,14,16,22H,3-6,9-10,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyHBDRBTMSBIFJFV-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.30
Rot. Bonds3

About 3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide

3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide (PubChem CID 166249754) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide
PubChem CID166249754
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide
SMILESCC(C)c1cc(C2CCCN(C(=O)Nc3ccc4c(c3)CCCN4)C2)[nH]n1
InChIInChI=1S/C21H29N5O/c1-14(2)19-12-20(25-24-19)16-6-4-10-26(13-16)21(27)23-17-7-8-18-15(11-17)5-3-9-22-18/h7-8,11-12,14,16,22H,3-6,9-10,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyHBDRBTMSBIFJFV-UHFFFAOYSA-N
XLogP4.30
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
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1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide (CID 166249754) is 3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide is CC(C)c1cc(C2CCCN(C(=O)Nc3ccc4c(c3)CCCN4)C2)[nH]n1.
What is the InChIKey of 3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide?
The InChIKey is HBDRBTMSBIFJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-14(2)19-12-20(25-24-19)16-6-4-10-26(13-16)21(27)23-17-7-8-18-15(11-17)5-3-9-22-18/h7-8,11-12,14,16,22H,3-6,9-10,13H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide?
3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 4.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 166249754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).