4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol

C16H29N3O — CID 114555851

IUPAC4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCCn1nccc1CNCC1(O)CCC(CC)CC1
InChIInChI=1S/C16H29N3O/c1-3-11-19-15(7-10-18-19)12-17-13-16(20)8-5-14(4-2)6-9-16/h7,10,14,17,20H,3-6,8-9,11-13H2,1-2H3
InChIKeyDFYZIPJYURQZKD-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.71
Rot. Bonds7

About 4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 114555851) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID114555851
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCCn1nccc1CNCC1(O)CCC(CC)CC1
InChIInChI=1S/C16H29N3O/c1-3-11-19-15(7-10-18-19)12-17-13-16(20)8-5-14(4-2)6-9-16/h7,10,14,17,20H,3-6,8-9,11-13H2,1-2H3
InChIKeyDFYZIPJYURQZKD-UHFFFAOYSA-N
XLogP2.71
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 114555849
2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100232
4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65116465
4-ethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555631
4-ethyl-1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65116048
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 107163325
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640
2-cyclopropyl-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 114556145
3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 115765922
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol (CID 114555851) is 4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol is CCCn1nccc1CNCC1(O)CCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is DFYZIPJYURQZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-11-19-15(7-10-18-19)12-17-13-16(20)8-5-14(4-2)6-9-16/h7,10,14,17,20H,3-6,8-9,11-13H2,1-2H3.
What are the key properties of 4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 279.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114555851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).