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

C13H22N4O2 — CID 64829980

IUPAC4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2cnn(CCO)c2)CC1
InChIInChI=1S/C13H22N4O2/c14-13(19)11-1-3-12(4-2-11)15-7-10-8-16-17(9-10)5-6-18/h8-9,11-12,15,18H,1-7H2,(H2,14,19)
InChIKeyVEIQPENBIXKHMW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.01
Rot. Bonds6

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

4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide (PubChem CID 64829980) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide
PubChem CID64829980
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2cnn(CCO)c2)CC1
InChIInChI=1S/C13H22N4O2/c14-13(19)11-1-3-12(4-2-11)15-7-10-8-16-17(9-10)5-6-18/h8-9,11-12,15,18H,1-7H2,(H2,14,19)
InChIKeyVEIQPENBIXKHMW-UHFFFAOYSA-N
XLogP0.01
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate
CID 64829987
5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one
CID 64829046
N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
CID 55110496
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114477117
N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide
CID 79393845
2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol
CID 64829200
2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831011
N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 65460455
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
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide
CID 115523776

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide (CID 64829980) is 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NCc2cnn(CCO)c2)CC1.
What is the InChIKey of 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide?
The InChIKey is VEIQPENBIXKHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c14-13(19)11-1-3-12(4-2-11)15-7-10-8-16-17(9-10)5-6-18/h8-9,11-12,15,18H,1-7H2,(H2,14,19).
What are the key properties of 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide?
4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 64829980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).