N,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H21N5O2 — CID 137018405

IUPACN,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N(C)C
InChIInChI=1S/C15H21N5O2/c1-9-13(15(22)19(2)3)14-17-12(21)8-11(20(14)18-9)10-4-6-16-7-5-10/h8,10,16H,4-7H2,1-3H3,(H,17,21)
InChIKeyMDFMJNDLLULNMA-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.50
Rot. Bonds2

About N,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018405) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018405
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N(C)C
InChIInChI=1S/C15H21N5O2/c1-9-13(15(22)19(2)3)14-17-12(21)8-11(20(14)18-9)10-4-6-16-7-5-10/h8,10,16H,4-7H2,1-3H3,(H,17,21)
InChIKeyMDFMJNDLLULNMA-UHFFFAOYSA-N
XLogP0.50
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10118930, Example 367
CID 137018439
US10118930, Example 24
CID 137018454
US10118930, Example 457
CID 137018477
US10118930, Example 461
CID 137018487
US10118930, Example 429
CID 137018588
US10118930, Example 465
CID 137018619
US10118930, Example 466
CID 137018636
US10118930, Example 454
CID 137018702
US10118930, Example 464
CID 137018756
US10118930, Example 99
CID 137018285
US10118930, Example 366
CID 137018304
US10118930, Example 317
CID 137018316

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018405) is N,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MDFMJNDLLULNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9-13(15(22)19(2)3)14-17-12(21)8-11(20(14)18-9)10-4-6-16-7-5-10/h8,10,16H,4-7H2,1-3H3,(H,17,21).
What are the key properties of N,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).