N-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine

C12H19F2N3 — CID 114252092

IUPACN-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1ccc(NCC2CCC(F)(F)C2)n1
InChIInChI=1S/C12H19F2N3/c1-9(2)17-6-4-11(16-17)15-8-10-3-5-12(13,14)7-10/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,15,16)
InChIKeyPSHGXTSWPBKLEN-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.31
Rot. Bonds4

About N-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine

N-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine (PubChem CID 114252092) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine
PubChem CID114252092
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC NameN-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1ccc(NCC2CCC(F)(F)C2)n1
InChIInChI=1S/C12H19F2N3/c1-9(2)17-6-4-11(16-17)15-8-10-3-5-12(13,14)7-10/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,15,16)
InChIKeyPSHGXTSWPBKLEN-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4767315
1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
CID 75483532
1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine
CID 75483546
N-(2-bicyclo[2.2.1]heptanyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 75483588
1-(2,2-difluoroethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 97797578
5-[3-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]pentanimidamide
CID 21279840
1-(5,5-Difluoro-hexyl)-1H-pyrazol-3-ylamine
CID 66928304
1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 79778362
1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine
CID 79778959
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 138648672
N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 138648708

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine (CID 114252092) is N-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for N-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for N-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine is CC(C)n1ccc(NCC2CCC(F)(F)C2)n1.
What is the InChIKey of N-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine?
The InChIKey is PSHGXTSWPBKLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-9(2)17-6-4-11(16-17)15-8-10-3-5-12(13,14)7-10/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine?
N-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine has a molecular weight of 243.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 114252092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).