N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide

C12H18F3N3O2 — CID 62037956

IUPACN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1[nH]ncc1CCCNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H18F3N3O2/c1-9-10(7-17-18-9)3-2-5-16-11(19)4-6-20-8-12(13,14)15/h7H,2-6,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyNMFJFMKKNPTSON-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.74
Rot. Bonds8

About N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 62037956) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID62037956
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1[nH]ncc1CCCNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H18F3N3O2/c1-9-10(7-17-18-9)3-2-5-16-11(19)4-6-20-8-12(13,14)15/h7H,2-6,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyNMFJFMKKNPTSON-UHFFFAOYSA-N
XLogP1.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110256062
3-sulfanyl-N-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]propanamide
CID 177680893
3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 54593500
1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 47247768
2,2,2-trifluoroethyl N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]carbamate hydrochloride
CID 50988134
2,2,2-trifluoroethyl N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]carbamate
CID 50988135
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 54896806
3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62039663
2,2,2-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62039882
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710950
4,4,4-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 65711772
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 72148154

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 62037956) is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide is Cc1[nH]ncc1CCCNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is NMFJFMKKNPTSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-9-10(7-17-18-9)3-2-5-16-11(19)4-6-20-8-12(13,14)15/h7H,2-6,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 293.29 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 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-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 62037956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).