methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate

C28H33ClN6O5 — CID 158724030

IUPACmethyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2cc(=O)n3[nH]ccc3n2)CC1.COC(=O)C1CCC(c2cc(Cl)n3nccc3n2)CC1
InChIInChI=1S/C14H16ClN3O2.C14H17N3O3/c1-20-14(19)10-4-2-9(3-5-10)11-8-12(15)18-13(17-11)6-7-16-18;1-20-14(19)10-4-2-9(3-5-10)11-8-13(18)17-12(16-11)6-7-15-17/h6-10H,2-5H2,1H3;6-10,15H,2-5H2,1H3
InChIKeyUTISAAQFRJZJBV-UHFFFAOYSA-N
MW569.06 g/mol
LogP4.30
Rot. Bonds4

About methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate

methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate (PubChem CID 158724030) has the molecular formula C28H33ClN6O5 and a molecular weight of 569.06 g/mol. Its IUPAC name is methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate
PubChem CID158724030
Molecular FormulaC28H33ClN6O5
Molecular Weight569.06 g/mol
Exact Mass568.22
IUPAC Namemethyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2cc(=O)n3[nH]ccc3n2)CC1.COC(=O)C1CCC(c2cc(Cl)n3nccc3n2)CC1
InChIInChI=1S/C14H16ClN3O2.C14H17N3O3/c1-20-14(19)10-4-2-9(3-5-10)11-8-12(15)18-13(17-11)6-7-16-18;1-20-14(19)10-4-2-9(3-5-10)11-8-13(18)17-12(16-11)6-7-15-17/h6-10H,2-5H2,1H3;6-10,15H,2-5H2,1H3
InChIKeyUTISAAQFRJZJBV-UHFFFAOYSA-N
XLogP4.30
TPSA132.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.06
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate (CID 158724030) is methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate is COC(=O)C1CCC(c2cc(=O)n3[nH]ccc3n2)CC1.COC(=O)C1CCC(c2cc(Cl)n3nccc3n2)CC1.
What is the InChIKey of methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate?
The InChIKey is UTISAAQFRJZJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2.C14H17N3O3/c1-20-14(19)10-4-2-9(3-5-10)11-8-12(15)18-13(17-11)6-7-16-18;1-20-14(19)10-4-2-9(3-5-10)11-8-13(18)17-12(16-11)6-7-15-17/h6-10H,2-5H2,1H3;6-10,15H,2-5H2,1H3.
What are the key properties of methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate?
methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate has a molecular weight of 569.06 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 158724030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).