methyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate

C17H24N4O2 — CID 91358657

IUPACmethyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2cc(N(C)C)n3ncc(C)c3n2)CC1
InChIInChI=1S/C17H24N4O2/c1-11-10-18-21-15(20(2)3)9-14(19-16(11)21)12-5-7-13(8-6-12)17(22)23-4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyLQTHZNXJWVLRSZ-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.55
Rot. Bonds3

About methyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate

methyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate (PubChem CID 91358657) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is methyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate
PubChem CID91358657
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Namemethyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2cc(N(C)C)n3ncc(C)c3n2)CC1
InChIInChI=1S/C17H24N4O2/c1-11-10-18-21-15(20(2)3)9-14(19-16(11)21)12-5-7-13(8-6-12)17(22)23-4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyLQTHZNXJWVLRSZ-UHFFFAOYSA-N
XLogP2.55
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 91331966
5-cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 97182124
methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate
CID 86664799
ethyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-deuteriocyclohexyl]-2-deuterioacetate
CID 88579932
tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate
CID 67494526
methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 25247710
methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate
CID 159322913
methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate
CID 156536133
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
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
CID 112689982
4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide
CID 58364790
methyl 4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylate
CID 141310856

Frequently Asked Questions

What is the IUPAC name of methyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate (CID 91358657) is methyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate is COC(=O)C1CCC(c2cc(N(C)C)n3ncc(C)c3n2)CC1.
What is the InChIKey of methyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate?
The InChIKey is LQTHZNXJWVLRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-10-18-21-15(20(2)3)9-14(19-16(11)21)12-5-7-13(8-6-12)17(22)23-4/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of methyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate?
methyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate has a molecular weight of 316.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 91358657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).