4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol

C13H23N3O — CID 106133809

IUPAC4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCn1cc(CCNCC2CCC(O)CC2)cn1
InChIInChI=1S/C13H23N3O/c1-16-10-12(9-15-16)6-7-14-8-11-2-4-13(17)5-3-11/h9-11,13-14,17H,2-8H2,1H3
InChIKeyYSBRYOHRAWYFSJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.10
Rot. Bonds5

About 4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol

4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 106133809) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID106133809
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCn1cc(CCNCC2CCC(O)CC2)cn1
InChIInChI=1S/C13H23N3O/c1-16-10-12(9-15-16)6-7-14-8-11-2-4-13(17)5-3-11/h9-11,13-14,17H,2-8H2,1H3
InChIKeyYSBRYOHRAWYFSJ-UHFFFAOYSA-N
XLogP1.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorocyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103015220
3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 103002222
2-(1-methylpyrazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 80682621
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80688588
2-(1-methylpyrazol-4-yl)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
CID 136905121
3-(1-methylpyrazol-4-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887397
1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116557707
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
2-(cyclopropylmethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 54869359
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol (CID 106133809) is 4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol is Cn1cc(CCNCC2CCC(O)CC2)cn1.
What is the InChIKey of 4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is YSBRYOHRAWYFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-16-10-12(9-15-16)6-7-14-8-11-2-4-13(17)5-3-11/h9-11,13-14,17H,2-8H2,1H3.
What are the key properties of 4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol?
4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).