N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H19F3N4O — CID 63710950

IUPACN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H19F3N4O/c1-9-10(7-19-20-9)3-2-5-18-11(21)12(13(14,15)16)4-6-17-8-12/h7,17H,2-6,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyBBPINLXLQBRDHW-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.31
Rot. Bonds5

About N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710950) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710950
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H19F3N4O/c1-9-10(7-19-20-9)3-2-5-18-11(21)12(13(14,15)16)4-6-17-8-12/h7,17H,2-6,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyBBPINLXLQBRDHW-UHFFFAOYSA-N
XLogP1.31
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 56798039
1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide
CID 71894156
cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110269329
2-cyclopentyl-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 110270853
3-sulfanyl-N-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]propanamide
CID 177680893
2-{[(3-tert-butyl-1H-pyrazol-4-yl)methyl]amino}-1-(pyrrolidin-1-yl)ethan-1-one
CID 47331643
3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 54593500
1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 95582588
1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 47247768
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227640
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 62037956
3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62039663

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710950) is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1[nH]ncc1CCCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is BBPINLXLQBRDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-9-10(7-19-20-9)3-2-5-18-11(21)12(13(14,15)16)4-6-17-8-12/h7,17H,2-6,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).