N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H27N5O2 — CID 110100945

IUPACN,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c(C3CCN(C4CCOCC4)CC3)ccnc12
InChIInChI=1S/C19H27N5O2/c1-22(2)19(25)16-13-21-24-17(3-8-20-18(16)24)14-4-9-23(10-5-14)15-6-11-26-12-7-15/h3,8,13-15H,4-7,9-12H2,1-2H3
InChIKeyJPKKNERUVQOBDH-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.79
Rot. Bonds3

About N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110100945) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110100945
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c(C3CCN(C4CCOCC4)CC3)ccnc12
InChIInChI=1S/C19H27N5O2/c1-22(2)19(25)16-13-21-24-17(3-8-20-18(16)24)14-4-9-23(10-5-14)15-6-11-26-12-7-15/h3,8,13-15H,4-7,9-12H2,1-2H3
InChIKeyJPKKNERUVQOBDH-UHFFFAOYSA-N
XLogP1.79
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110100945) is N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnn2c(C3CCN(C4CCOCC4)CC3)ccnc12.
What is the InChIKey of N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JPKKNERUVQOBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-22(2)19(25)16-13-21-24-17(3-8-20-18(16)24)14-4-9-23(10-5-14)15-6-11-26-12-7-15/h3,8,13-15H,4-7,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110100945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).