3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine

C13H18F3N5 — CID 122167868

IUPAC3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
SMILESCCCn1cc(NCc2cnn(CC(F)(F)F)c2)c(C)n1
InChIInChI=1S/C13H18F3N5/c1-3-4-20-8-12(10(2)19-20)17-5-11-6-18-21(7-11)9-13(14,15)16/h6-8,17H,3-5,9H2,1-2H3
InChIKeyTULASCWOSCIJTF-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.97
Rot. Bonds6

About 3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine

3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine (PubChem CID 122167868) has the molecular formula C13H18F3N5 and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
PubChem CID122167868
Molecular FormulaC13H18F3N5
Molecular Weight301.32 g/mol
Exact Mass301.15
IUPAC Name3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
SMILESCCCn1cc(NCc2cnn(CC(F)(F)F)c2)c(C)n1
InChIInChI=1S/C13H18F3N5/c1-3-4-20-8-12(10(2)19-20)17-5-11-6-18-21(7-11)9-13(14,15)16/h6-8,17H,3-5,9H2,1-2H3
InChIKeyTULASCWOSCIJTF-UHFFFAOYSA-N
XLogP2.97
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine with MolForge

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Related Compounds

3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964358
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122166471
3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965272
N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126964491
1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine
CID 122167858
3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964248
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride
CID 126964008
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122169217
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]butan-1-amine;hydrochloride
CID 126964946
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166677

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine?
The IUPAC name of 3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine (CID 122167868) is 3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine is CCCn1cc(NCc2cnn(CC(F)(F)F)c2)c(C)n1.
What is the InChIKey of 3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine?
The InChIKey is TULASCWOSCIJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5/c1-3-4-20-8-12(10(2)19-20)17-5-11-6-18-21(7-11)9-13(14,15)16/h6-8,17H,3-5,9H2,1-2H3.
What are the key properties of 3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine?
3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine has a molecular weight of 301.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 122167868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).