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

C16H21F3N4O2 — CID 121279599

IUPACN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C3(C(F)(F)F)CC3)C2)n[nH]1
InChIInChI=1S/C16H21F3N4O2/c1-9(2)11-7-12(22-21-11)13(24)23-6-3-10(8-23)20-14(25)15(4-5-15)16(17,18)19/h7,9-10H,3-6,8H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyRPJVWKCKJDKIET-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.21
Rot. Bonds4

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

N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 121279599) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID121279599
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C3(C(F)(F)F)CC3)C2)n[nH]1
InChIInChI=1S/C16H21F3N4O2/c1-9(2)11-7-12(22-21-11)13(24)23-6-3-10(8-23)20-14(25)15(4-5-15)16(17,18)19/h7,9-10H,3-6,8H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyRPJVWKCKJDKIET-UHFFFAOYSA-N
XLogP2.21
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 121279599) is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)C3(C(F)(F)F)CC3)C2)n[nH]1.
What is the InChIKey of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is RPJVWKCKJDKIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c1-9(2)11-7-12(22-21-11)13(24)23-6-3-10(8-23)20-14(25)15(4-5-15)16(17,18)19/h7,9-10H,3-6,8H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 121279599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).