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

C15H21FN4O2 — CID 121279620

IUPACcis-(1R,2R)-2-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)[C@H]3C[C@H]3F)C2)n[nH]1
InChIInChI=1S/C15H21FN4O2/c1-8(2)12-6-13(19-18-12)15(22)20-4-3-9(7-20)17-14(21)10-5-11(10)16/h6,8-11H,3-5,7H2,1-2H3,(H,17,21)(H,18,19)/t9-,10+,11-/m1/s1
InChIKeyLXGAOGLHQMPZIY-OUAUKWLOSA-N
MW308.36 g/mol
LogP1.22
Rot. Bonds4

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

cis-(1R,2R)-2-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 121279620) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is cis-(1R,2R)-2-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
PubChem CID121279620
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Namecis-(1R,2R)-2-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)[C@H]3C[C@H]3F)C2)n[nH]1
InChIInChI=1S/C15H21FN4O2/c1-8(2)12-6-13(19-18-12)15(22)20-4-3-9(7-20)17-14(21)10-5-11(10)16/h6,8-11H,3-5,7H2,1-2H3,(H,17,21)(H,18,19)/t9-,10+,11-/m1/s1
InChIKeyLXGAOGLHQMPZIY-OUAUKWLOSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 121279620) is cis-(1R,2R)-2-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-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)[C@H]3C[C@H]3F)C2)n[nH]1.
What is the InChIKey of cis-(1R,2R)-2-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is LXGAOGLHQMPZIY-OUAUKWLOSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-8(2)12-6-13(19-18-12)15(22)20-4-3-9(7-20)17-14(21)10-5-11(10)16/h6,8-11H,3-5,7H2,1-2H3,(H,17,21)(H,18,19)/t9-,10+,11-/m1/s1.
What are the key properties of cis-(1R,2R)-2-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
cis-(1R,2R)-2-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 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-fluoro-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 121279620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).