1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine

C14H15F3N4 — CID 134440162

IUPAC1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine
SMILESCc1c(-c2ccc(C(F)(F)F)nc2)nn(CC2CC2)c1N
InChIInChI=1S/C14H15F3N4/c1-8-12(20-21(13(8)18)7-9-2-3-9)10-4-5-11(19-6-10)14(15,16)17/h4-6,9H,2-3,7,18H2,1H3
InChIKeySTUYTMPWVLDXLW-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.26
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine

1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine (PubChem CID 134440162) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine
PubChem CID134440162
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine
SMILESCc1c(-c2ccc(C(F)(F)F)nc2)nn(CC2CC2)c1N
InChIInChI=1S/C14H15F3N4/c1-8-12(20-21(13(8)18)7-9-2-3-9)10-4-5-11(19-6-10)14(15,16)17/h4-6,9H,2-3,7,18H2,1H3
InChIKeySTUYTMPWVLDXLW-UHFFFAOYSA-N
XLogP3.26
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine?
The IUPAC name of 1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine (CID 134440162) is 1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine is Cc1c(-c2ccc(C(F)(F)F)nc2)nn(CC2CC2)c1N.
What is the InChIKey of 1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine?
The InChIKey is STUYTMPWVLDXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-8-12(20-21(13(8)18)7-9-2-3-9)10-4-5-11(19-6-10)14(15,16)17/h4-6,9H,2-3,7,18H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine?
1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine has a molecular weight of 296.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine is sourced from PubChem (CID 134440162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).