N-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide

C14H19FN4O2 — CID 121279554

IUPACN-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCC(F)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)n[nH]1
InChIInChI=1S/C14H19FN4O2/c1-8(15)11-6-12(18-17-11)14(21)19-5-4-10(7-19)16-13(20)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H,16,20)(H,17,18)
InChIKeyQQMIHOOJONAZBL-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.18
Rot. Bonds4

About N-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide

N-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 121279554) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID121279554
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC NameN-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCC(F)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)n[nH]1
InChIInChI=1S/C14H19FN4O2/c1-8(15)11-6-12(18-17-11)14(21)19-5-4-10(7-19)16-13(20)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H,16,20)(H,17,18)
InChIKeyQQMIHOOJONAZBL-UHFFFAOYSA-N
XLogP1.18
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (CID 121279554) is N-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is CC(F)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)n[nH]1.
What is the InChIKey of N-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is QQMIHOOJONAZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-8(15)11-6-12(18-17-11)14(21)19-5-4-10(7-19)16-13(20)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(1-fluoroethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121279554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).