N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H24N4O2 — CID 111485768

IUPACN-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NCC3(O)CCCCC3)c2n1
InChIInChI=1S/C17H24N4O2/c1-11-9-12(2)21-15(19-11)14(13(3)20-21)16(22)18-10-17(23)7-5-4-6-8-17/h9,23H,4-8,10H2,1-3H3,(H,18,22)
InChIKeyUADTXEUKRZMSCO-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.08
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 111485768) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID111485768
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NCC3(O)CCCCC3)c2n1
InChIInChI=1S/C17H24N4O2/c1-11-9-12(2)21-15(19-11)14(13(3)20-21)16(22)18-10-17(23)7-5-4-6-8-17/h9,23H,4-8,10H2,1-3H3,(H,18,22)
InChIKeyUADTXEUKRZMSCO-UHFFFAOYSA-N
XLogP2.08
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119620516
2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119236620
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122147962
N-[(1-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111333145
2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119447428
3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 119220654
2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118770784
2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 99803603
2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74250478
2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119254491
2,5,7-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119536193

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 111485768) is N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2nc(C)c(C(=O)NCC3(O)CCCCC3)c2n1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UADTXEUKRZMSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-9-12(2)21-15(19-11)14(13(3)20-21)16(22)18-10-17(23)7-5-4-6-8-17/h9,23H,4-8,10H2,1-3H3,(H,18,22).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111485768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).