1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine

C10H15F3N4 — CID 62139548

IUPAC1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine
SMILESNc1cnn(CCN(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)7-16(9-1-2-9)3-4-17-6-8(14)5-15-17/h5-6,9H,1-4,7,14H2
InChIKeyYBPOPBGYZUBFHN-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.49
Rot. Bonds5

About 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine

1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine (PubChem CID 62139548) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine
PubChem CID62139548
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine
SMILESNc1cnn(CCN(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)7-16(9-1-2-9)3-4-17-6-8(14)5-15-17/h5-6,9H,1-4,7,14H2
InChIKeyYBPOPBGYZUBFHN-UHFFFAOYSA-N
XLogP1.49
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1H-pyrazol-4-amine
CID 4770990
1-[2-(diethylamino)ethyl]-1H-pyrazol-4-amine
CID 42281880
1-Methyl-1H-pyrazol-4-ylamine hydrochloride
CID 17354268
1-Ethyl-1h-pyrazol-4-amine
CID 7018640
1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 7015918
1-(Propan-2-yl)-1H-pyrazol-4-amine
CID 13469826
1-(2-methylpropyl)-1H-pyrazol-4-amine
CID 17856047
1-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 19576663
1-propyl-1H-pyrazol-4-amine
CID 19620834
2-(4-amino-1H-pyrazol-1-yl)acetonitrile
CID 28373973
1-(Butan-2-yl)-1H-pyrazol-4-amine
CID 43209204
N-ethyl-1-methyl-1H-pyrazol-4-amine
CID 43534862

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine (CID 62139548) is 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine is Nc1cnn(CCN(CC(F)(F)F)C2CC2)c1.
What is the InChIKey of 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine?
The InChIKey is YBPOPBGYZUBFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c11-10(12,13)7-16(9-1-2-9)3-4-17-6-8(14)5-15-17/h5-6,9H,1-4,7,14H2.
What are the key properties of 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine?
1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine has a molecular weight of 248.25 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyrazol-4-amine is sourced from PubChem (CID 62139548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).