2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine

C16H29N3 — CID 83160038

IUPAC2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(Cc1cc(CC)nn1CC)C1CC1
InChIInChI=1S/C16H29N3/c1-5-14-10-15(19(7-3)18-14)11-16(4,12-17-6-2)13-8-9-13/h10,13,17H,5-9,11-12H2,1-4H3
InChIKeyCENJRZFWXHLOSH-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.03
Rot. Bonds8

About 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine

2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 83160038) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine
PubChem CID83160038
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(Cc1cc(CC)nn1CC)C1CC1
InChIInChI=1S/C16H29N3/c1-5-14-10-15(19(7-3)18-14)11-16(4,12-17-6-2)13-8-9-13/h10,13,17H,5-9,11-12H2,1-4H3
InChIKeyCENJRZFWXHLOSH-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine
CID 83159330
2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid
CID 83147790
2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol
CID 114794994
2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83160224
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine
CID 81018330
2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053542
2-[(1,3-diethylpyrazol-5-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83150695
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol
CID 79450356
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 83159779
2-cyclopentyl-3-(1,3-diethylpyrazol-5-yl)-N-ethylpropan-1-amine
CID 115926572
5-[2,2-bis(bromomethyl)butyl]-1,3-diethylpyrazole
CID 79455390
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566711

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine (CID 83160038) is 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)(Cc1cc(CC)nn1CC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is CENJRZFWXHLOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-14-10-15(19(7-3)18-14)11-16(4,12-17-6-2)13-8-9-13/h10,13,17H,5-9,11-12H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine?
2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 83160038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).