4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol

C18H29N5O — CID 56882938

IUPAC4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol
SMILESCC(C)c1cc(N2CCCC(O)(CN(C)C)CC2)n2nccc2n1
InChIInChI=1S/C18H29N5O/c1-14(2)15-12-17(23-16(20-15)6-9-19-23)22-10-5-7-18(24,8-11-22)13-21(3)4/h6,9,12,14,24H,5,7-8,10-11,13H2,1-4H3
InChIKeyLCLBMCZRNFJHBP-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.14
Rot. Bonds4

About 4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol

4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol (PubChem CID 56882938) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol
PubChem CID56882938
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol
SMILESCC(C)c1cc(N2CCCC(O)(CN(C)C)CC2)n2nccc2n1
InChIInChI=1S/C18H29N5O/c1-14(2)15-12-17(23-16(20-15)6-9-19-23)22-10-5-7-18(24,8-11-22)13-21(3)4/h6,9,12,14,24H,5,7-8,10-11,13H2,1-4H3
InChIKeyLCLBMCZRNFJHBP-UHFFFAOYSA-N
XLogP2.14
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol 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 4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol (CID 56882938) is 4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol is CC(C)c1cc(N2CCCC(O)(CN(C)C)CC2)n2nccc2n1.
What is the InChIKey of 4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol?
The InChIKey is LCLBMCZRNFJHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-14(2)15-12-17(23-16(20-15)6-9-19-23)22-10-5-7-18(24,8-11-22)13-21(3)4/h6,9,12,14,24H,5,7-8,10-11,13H2,1-4H3.
What are the key properties of 4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol?
4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol has a molecular weight of 331.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol is sourced from PubChem (CID 56882938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).