(2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine

C16H29N3 — CID 97098143

IUPAC(2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCCCC1CCC(CN[C@@H](C)Cn2cccn2)CC1
InChIInChI=1S/C16H29N3/c1-3-5-15-6-8-16(9-7-15)12-17-14(2)13-19-11-4-10-18-19/h4,10-11,14-17H,3,5-9,12-13H2,1-2H3/t14-,15?,16?/m0/s1
InChIKeyDKUQRYVNKYUDBN-FHERZECASA-N
MW263.43 g/mol
LogP3.47
Rot. Bonds7

About (2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine

(2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 97098143) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is (2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID97098143
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name(2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCCCC1CCC(CN[C@@H](C)Cn2cccn2)CC1
InChIInChI=1S/C16H29N3/c1-3-5-15-6-8-16(9-7-15)12-17-14(2)13-19-11-4-10-18-19/h4,10-11,14-17H,3,5-9,12-13H2,1-2H3/t14-,15?,16?/m0/s1
InChIKeyDKUQRYVNKYUDBN-FHERZECASA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 97098143) is (2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine is CCCC1CCC(CN[C@@H](C)Cn2cccn2)CC1.
What is the InChIKey of (2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is DKUQRYVNKYUDBN-FHERZECASA-N. The full InChI is InChI=1S/C16H29N3/c1-3-5-15-6-8-16(9-7-15)12-17-14(2)13-19-11-4-10-18-19/h4,10-11,14-17H,3,5-9,12-13H2,1-2H3/t14-,15?,16?/m0/s1.
What are the key properties of (2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
(2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 97098143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).