N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide

C10H15F3N4O2 — CID 103205495

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCn1cc(CN)c(NC(=O)CCOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O2/c1-17-5-7(4-14)9(16-17)15-8(18)2-3-19-6-10(11,12)13/h5H,2-4,6,14H2,1H3,(H,15,16,18)
InChIKeyZHFJTULCIIXGKP-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.79
Rot. Bonds6

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103205495) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103205495
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCn1cc(CN)c(NC(=O)CCOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O2/c1-17-5-7(4-14)9(16-17)15-8(18)2-3-19-6-10(11,12)13/h5H,2-4,6,14H2,1H3,(H,15,16,18)
InChIKeyZHFJTULCIIXGKP-UHFFFAOYSA-N
XLogP0.79
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(1-isobutyl-4-methyl-1H-pyrazol-5-yl)propanamide
CID 132412401
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide
CID 132970581
2,2,2-trifluoroethyl N-[3-[[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]amino]-3-oxopropyl]carbamate
CID 51106697
Ethyl 1-methyl-3-(3,3,3-trifluoropropanoylamino)pyrazole-4-carboxylate
CID 75484583
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 79500044
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4,4-trifluorobutanamide
CID 79523489
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide
CID 79524021
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide
CID 103205496
N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205708
N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205710
N-(4-cyano-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208288
N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208296

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103205495) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide is Cn1cc(CN)c(NC(=O)CCOCC(F)(F)F)n1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is ZHFJTULCIIXGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-17-5-7(4-14)9(16-17)15-8(18)2-3-19-6-10(11,12)13/h5H,2-4,6,14H2,1H3,(H,15,16,18).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 280.25 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103205495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).