N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H18N4O2 — CID 111695429

IUPACN-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)N(C)CCC(C)O
InChIInChI=1S/C13H18N4O2/c1-9(18)5-8-16(3)13(19)11-10(2)15-17-7-4-6-14-12(11)17/h4,6-7,9,18H,5,8H2,1-3H3
InChIKeyZFBOSRRUHZFSBG-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.88
Rot. Bonds4

About N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 111695429) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID111695429
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)N(C)CCC(C)O
InChIInChI=1S/C13H18N4O2/c1-9(18)5-8-16(3)13(19)11-10(2)15-17-7-4-6-14-12(11)17/h4,6-7,9,18H,5,8H2,1-3H3
InChIKeyZFBOSRRUHZFSBG-UHFFFAOYSA-N
XLogP0.88
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 111695429) is N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)N(C)CCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZFBOSRRUHZFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(18)5-8-16(3)13(19)11-10(2)15-17-7-4-6-14-12(11)17/h4,6-7,9,18H,5,8H2,1-3H3.
What are the key properties of N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111695429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).