ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate

C15H25N3O3 — CID 64829987

IUPACethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NCc2cnn(CCO)c2)CC1
InChIInChI=1S/C15H25N3O3/c1-2-21-15(20)13-3-5-14(6-4-13)16-9-12-10-17-18(11-12)7-8-19/h10-11,13-14,16,19H,2-9H2,1H3
InChIKeyPWDWKWFBSJJKQD-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.09
Rot. Bonds7

About ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate

ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate (PubChem CID 64829987) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate
PubChem CID64829987
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nameethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NCc2cnn(CCO)c2)CC1
InChIInChI=1S/C15H25N3O3/c1-2-21-15(20)13-3-5-14(6-4-13)16-9-12-10-17-18(11-12)7-8-19/h10-11,13-14,16,19H,2-9H2,1H3
InChIKeyPWDWKWFBSJJKQD-UHFFFAOYSA-N
XLogP1.09
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide
CID 64829980
N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
CID 55110496
ethyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexane-1-carboxylate
CID 83089059
5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one
CID 64829046
ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate
CID 115904668
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114477117
ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate
CID 66671278
ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate
CID 79781511
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831011
ethyl 4-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexane-1-carboxylate
CID 55114741

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate (CID 64829987) is ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NCc2cnn(CCO)c2)CC1.
What is the InChIKey of ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate?
The InChIKey is PWDWKWFBSJJKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-21-15(20)13-3-5-14(6-4-13)16-9-12-10-17-18(11-12)7-8-19/h10-11,13-14,16,19H,2-9H2,1H3.
What are the key properties of ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate?
ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 64829987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).