N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine

C12H21N3 — CID 75438377

IUPACN-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine
SMILESCCN(Cc1ccn[nH]1)C1CCCCC1
InChIInChI=1S/C12H21N3/c1-2-15(10-11-8-9-13-14-11)12-6-4-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H,13,14)
InChIKeyYMTWZSGKCWMLMR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.56
Rot. Bonds4

About N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine

N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine (PubChem CID 75438377) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine
PubChem CID75438377
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine
SMILESCCN(Cc1ccn[nH]1)C1CCCCC1
InChIInChI=1S/C12H21N3/c1-2-15(10-11-8-9-13-14-11)12-6-4-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H,13,14)
InChIKeyYMTWZSGKCWMLMR-UHFFFAOYSA-N
XLogP2.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine?
The IUPAC name of N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine (CID 75438377) is N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine?
The canonical SMILES for N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine is CCN(Cc1ccn[nH]1)C1CCCCC1.
What is the InChIKey of N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine?
The InChIKey is YMTWZSGKCWMLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-15(10-11-8-9-13-14-11)12-6-4-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H,13,14).
What are the key properties of N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine?
N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine has a molecular weight of 207.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine is sourced from PubChem (CID 75438377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).