N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide

C14H19F3N4O2 — CID 166276502

IUPACN-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide
SMILESO=C(NCc1cn[nH]c1C1CCNC1)C1CC(OC(F)(F)F)C1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)23-11-3-9(4-11)13(22)19-6-10-7-20-21-12(10)8-1-2-18-5-8/h7-9,11,18H,1-6H2,(H,19,22)(H,20,21)
InChIKeyUGZSWXAGGCOYSZ-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.42
Rot. Bonds5

About N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide

N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide (PubChem CID 166276502) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide
PubChem CID166276502
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC NameN-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide
SMILESO=C(NCc1cn[nH]c1C1CCNC1)C1CC(OC(F)(F)F)C1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)23-11-3-9(4-11)13(22)19-6-10-7-20-21-12(10)8-1-2-18-5-8/h7-9,11,18H,1-6H2,(H,19,22)(H,20,21)
InChIKeyUGZSWXAGGCOYSZ-UHFFFAOYSA-N
XLogP1.42
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide?
The IUPAC name of N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide (CID 166276502) is N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide is O=C(NCc1cn[nH]c1C1CCNC1)C1CC(OC(F)(F)F)C1.
What is the InChIKey of N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide?
The InChIKey is UGZSWXAGGCOYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c15-14(16,17)23-11-3-9(4-11)13(22)19-6-10-7-20-21-12(10)8-1-2-18-5-8/h7-9,11,18H,1-6H2,(H,19,22)(H,20,21).
What are the key properties of N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide?
N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide is sourced from PubChem (CID 166276502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).