1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine

C16H29N3 — CID 104996236

IUPAC1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(C)nn1C)CC1CCCC1
InChIInChI=1S/C16H29N3/c1-4-9-17-15(11-14-7-5-6-8-14)12-16-10-13(2)18-19(16)3/h10,14-15,17H,4-9,11-12H2,1-3H3
InChIKeyBFKLTEJCWGIOTP-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.22
Rot. Bonds7

About 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine

1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine (PubChem CID 104996236) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine
PubChem CID104996236
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(C)nn1C)CC1CCCC1
InChIInChI=1S/C16H29N3/c1-4-9-17-15(11-14-7-5-6-8-14)12-16-10-13(2)18-19(16)3/h10,14-15,17H,4-9,11-12H2,1-3H3
InChIKeyBFKLTEJCWGIOTP-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpropan-2-amine
CID 105002712
2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine
CID 112569917
1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79964323
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine
CID 116722727
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine
CID 105158544
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105158603
1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine
CID 105024576
1-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62797585
2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 112569707
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine
CID 79064110
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714771

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine (CID 104996236) is 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine is CCCNC(Cc1cc(C)nn1C)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine?
The InChIKey is BFKLTEJCWGIOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-9-17-15(11-14-7-5-6-8-14)12-16-10-13(2)18-19(16)3/h10,14-15,17H,4-9,11-12H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine?
1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 104996236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).