1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine

C14H16F3N3S — CID 58955813

IUPAC1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine
SMILESCn1nc(-c2ccc(CNCC3CC3)s2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3N3S/c1-20-13(14(15,16)17)6-11(19-20)12-5-4-10(21-12)8-18-7-9-2-3-9/h4-6,9,18H,2-3,7-8H2,1H3
InChIKeyRQUIDTFPNBCVIZ-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.67
Rot. Bonds5

About 1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine

1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine (PubChem CID 58955813) has the molecular formula C14H16F3N3S and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine
PubChem CID58955813
Molecular FormulaC14H16F3N3S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine
SMILESCn1nc(-c2ccc(CNCC3CC3)s2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3N3S/c1-20-13(14(15,16)17)6-11(19-20)12-5-4-10(21-12)8-18-7-9-2-3-9/h4-6,9,18H,2-3,7-8H2,1H3
InChIKeyRQUIDTFPNBCVIZ-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine (CID 58955813) is 1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine is Cn1nc(-c2ccc(CNCC3CC3)s2)cc1C(F)(F)F.
What is the InChIKey of 1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine?
The InChIKey is RQUIDTFPNBCVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3S/c1-20-13(14(15,16)17)6-11(19-20)12-5-4-10(21-12)8-18-7-9-2-3-9/h4-6,9,18H,2-3,7-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine?
1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine has a molecular weight of 315.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine is sourced from PubChem (CID 58955813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).