1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide

C18H29BrN4O2 — CID 56567520

IUPAC1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2n[nH]c(C(C)C)c2Br)CC1
InChIInChI=1S/C18H29BrN4O2/c1-4-5-6-9-20-17(24)13-7-10-23(11-8-13)18(25)16-14(19)15(12(2)3)21-22-16/h12-13H,4-11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyKVTKISNDADHNQH-UHFFFAOYSA-N
MW413.36 g/mol
LogP3.45
Rot. Bonds7

About 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide

1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide (PubChem CID 56567520) has the molecular formula C18H29BrN4O2 and a molecular weight of 413.36 g/mol. Its IUPAC name is 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide
PubChem CID56567520
Molecular FormulaC18H29BrN4O2
Molecular Weight413.36 g/mol
Exact Mass412.15
IUPAC Name1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2n[nH]c(C(C)C)c2Br)CC1
InChIInChI=1S/C18H29BrN4O2/c1-4-5-6-9-20-17(24)13-7-10-23(11-8-13)18(25)16-14(19)15(12(2)3)21-22-16/h12-13H,4-11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyKVTKISNDADHNQH-UHFFFAOYSA-N
XLogP3.45
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 56567002
1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 56560382
1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 78875827
[4-(aminomethyl)piperidin-1-yl]-(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119423630
1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
2-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56559800
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815
N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113005611
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide (CID 56567520) is 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)c2n[nH]c(C(C)C)c2Br)CC1.
What is the InChIKey of 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide?
The InChIKey is KVTKISNDADHNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN4O2/c1-4-5-6-9-20-17(24)13-7-10-23(11-8-13)18(25)16-14(19)15(12(2)3)21-22-16/h12-13H,4-11H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide?
1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide has a molecular weight of 413.36 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 56567520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).