1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

C15H21FN4O2 — CID 121279641

IUPAC1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)C3(F)CC3)C2)n[nH]1
InChIInChI=1S/C15H21FN4O2/c1-9(2)11-7-12(19-18-11)13(21)20-6-3-10(8-20)17-14(22)15(16)4-5-15/h7,9-10H,3-6,8H2,1-2H3,(H,17,22)(H,18,19)/t10-/m1/s1
InChIKeyFDPKWGREBLNIBF-SNVBAGLBSA-N
MW308.36 g/mol
LogP1.37
Rot. Bonds4

About 1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 121279641) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
PubChem CID121279641
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)C3(F)CC3)C2)n[nH]1
InChIInChI=1S/C15H21FN4O2/c1-9(2)11-7-12(19-18-11)13(21)20-6-3-10(8-20)17-14(22)15(16)4-5-15/h7,9-10H,3-6,8H2,1-2H3,(H,17,22)(H,18,19)/t10-/m1/s1
InChIKeyFDPKWGREBLNIBF-SNVBAGLBSA-N
XLogP1.37
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 121279641) is 1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)C3(F)CC3)C2)n[nH]1.
What is the InChIKey of 1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is FDPKWGREBLNIBF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-9(2)11-7-12(19-18-11)13(21)20-6-3-10(8-20)17-14(22)15(16)4-5-15/h7,9-10H,3-6,8H2,1-2H3,(H,17,22)(H,18,19)/t10-/m1/s1.
What are the key properties of 1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 121279641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).