N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine

C12H13F3N4 — CID 104535971

IUPACN-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
SMILESCCCNc1cncc(-n2cc(C(F)(F)F)cn2)c1
InChIInChI=1S/C12H13F3N4/c1-2-3-17-10-4-11(7-16-6-10)19-8-9(5-18-19)12(13,14)15/h4-8,17H,2-3H2,1H3
InChIKeyHZFSAUKEIQKRFL-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.11
Rot. Bonds4

About N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine

N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine (PubChem CID 104535971) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
PubChem CID104535971
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC NameN-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
SMILESCCCNc1cncc(-n2cc(C(F)(F)F)cn2)c1
InChIInChI=1S/C12H13F3N4/c1-2-3-17-10-4-11(7-16-6-10)19-8-9(5-18-19)12(13,14)15/h4-8,17H,2-3H2,1H3
InChIKeyHZFSAUKEIQKRFL-UHFFFAOYSA-N
XLogP3.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylpyrazol-1-yl)-N-propylpyridin-3-amine
CID 104535962
2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine
CID 113469850
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide
CID 104535988
2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol
CID 104534823
N-propyl-5-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104536494
N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868236
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine
CID 113424132
N-ethyl-5-pyrazol-1-ylpyridin-3-amine
CID 104535894
1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole
CID 130252820
N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 80636901
5-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propylpyridin-3-amine
CID 104535710

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?
The IUPAC name of N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine (CID 104535971) is N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine.
What is the SMILES notation for N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?
The canonical SMILES for N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine is CCCNc1cncc(-n2cc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?
The InChIKey is HZFSAUKEIQKRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-2-3-17-10-4-11(7-16-6-10)19-8-9(5-18-19)12(13,14)15/h4-8,17H,2-3H2,1H3.
What are the key properties of N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?
N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine has a molecular weight of 270.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine is sourced from PubChem (CID 104535971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).