2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide

C19H29FN4O2 — CID 166351832

IUPAC2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C(F)C3CCCCC3)C2)n[nH]1
InChIInChI=1S/C19H29FN4O2/c1-12(2)15-10-16(23-22-15)19(26)24-9-8-14(11-24)21-18(25)17(20)13-6-4-3-5-7-13/h10,12-14,17H,3-9,11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyNWDJUKKIRHGHEG-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.78
Rot. Bonds5

About 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide

2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 166351832) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID166351832
Molecular FormulaC19H29FN4O2
Molecular Weight364.47 g/mol
Exact Mass364.23
IUPAC Name2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C(F)C3CCCCC3)C2)n[nH]1
InChIInChI=1S/C19H29FN4O2/c1-12(2)15-10-16(23-22-15)19(26)24-9-8-14(11-24)21-18(25)17(20)13-6-4-3-5-7-13/h10,12-14,17H,3-9,11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyNWDJUKKIRHGHEG-UHFFFAOYSA-N
XLogP2.78
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide (CID 166351832) is 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)C(F)C3CCCCC3)C2)n[nH]1.
What is the InChIKey of 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is NWDJUKKIRHGHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O2/c1-12(2)15-10-16(23-22-15)19(26)24-9-8-14(11-24)21-18(25)17(20)13-6-4-3-5-7-13/h10,12-14,17H,3-9,11H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide?
2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 364.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 166351832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).