methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate

C14H22N4O3 — CID 102809010

IUPACmethyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(NC2CC2)nn(C2CCCCC2O)c1N
InChIInChI=1S/C14H22N4O3/c1-21-14(20)11-12(15)18(9-4-2-3-5-10(9)19)17-13(11)16-8-6-7-8/h8-10,19H,2-7,15H2,1H3,(H,16,17)
InChIKeyCFAWMQDWESPTNQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.30
Rot. Bonds4

About methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate

methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate (PubChem CID 102809010) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
PubChem CID102809010
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Namemethyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(NC2CC2)nn(C2CCCCC2O)c1N
InChIInChI=1S/C14H22N4O3/c1-21-14(20)11-12(15)18(9-4-2-3-5-10(9)19)17-13(11)16-8-6-7-8/h8-10,19H,2-7,15H2,1H3,(H,16,17)
InChIKeyCFAWMQDWESPTNQ-UHFFFAOYSA-N
XLogP1.30
TPSA102.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate
CID 102808998
methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
CID 102809007
methyl 5-amino-1-tert-butyl-3-(cyclohexylamino)pyrazole-4-carboxylate
CID 102808403
methyl 5-amino-3-(diethylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate
CID 102809006
methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808980
methyl 5-amino-3-(cyclobutylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808565
2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol
CID 102826212
methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808982
methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate
CID 102808304
methyl 5-amino-1-ethyl-3-(piperidin-4-ylamino)pyrazole-4-carboxylate
CID 102808675
methyl 5-amino-1-butyl-3-(oxan-4-ylamino)pyrazole-4-carboxylate
CID 102808783
2-(5-amino-3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol
CID 62712496

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate (CID 102809010) is methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate is COC(=O)c1c(NC2CC2)nn(C2CCCCC2O)c1N.
What is the InChIKey of methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate?
The InChIKey is CFAWMQDWESPTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-21-14(20)11-12(15)18(9-4-2-3-5-10(9)19)17-13(11)16-8-6-7-8/h8-10,19H,2-7,15H2,1H3,(H,16,17).
What are the key properties of methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate?
methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate has a molecular weight of 294.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate is sourced from PubChem (CID 102809010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).