1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

C16H27F2N3 — CID 103029773

IUPAC1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H27F2N3/c1-3-10-19-15(5-4-13-11-20-21(2)12-13)14-6-8-16(17,18)9-7-14/h11-12,14-15,19H,3-10H2,1-2H3
InChIKeyIRZUQKSRSGJRAZ-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.55
Rot. Bonds7

About 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 103029773) has the molecular formula C16H27F2N3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID103029773
Molecular FormulaC16H27F2N3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H27F2N3/c1-3-10-19-15(5-4-13-11-20-21(2)12-13)14-6-8-16(17,18)9-7-14/h11-12,14-15,19H,3-10H2,1-2H3
InChIKeyIRZUQKSRSGJRAZ-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
3-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 62405677
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
{[1-ethyl-2-(1-methyl-1H-pyrazol-4-yl)piperidin-3-yl]methyl}(methyl)amine
CID 64067740
1-methyl-4-[(pyrrolidin-2-yl)methyl]-1H-pyrazole
CID 64089898
4-(1-methyl-1H-pyrazol-4-yl)piperidine hydrochloride
CID 91647506
[1-(4,4-Difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025552
[6,6,6-Trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-yl]hydrazine
CID 103025573

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (CID 103029773) is 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(CCc1cnn(C)c1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is IRZUQKSRSGJRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2N3/c1-3-10-19-15(5-4-13-11-20-21(2)12-13)14-6-8-16(17,18)9-7-14/h11-12,14-15,19H,3-10H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103029773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).