N,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide

C16H21N5O3 — CID 110090796

IUPACN,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide
SMILESCc1cc(C(=O)N2CCOC(C)(C(=O)N(C)C)C2)n2nccc2n1
InChIInChI=1S/C16H21N5O3/c1-11-9-12(21-13(18-11)5-6-17-21)14(22)20-7-8-24-16(2,10-20)15(23)19(3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyRCXUNCZFXPFGHC-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.36
Rot. Bonds2

About N,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide

N,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide (PubChem CID 110090796) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide
PubChem CID110090796
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide
SMILESCc1cc(C(=O)N2CCOC(C)(C(=O)N(C)C)C2)n2nccc2n1
InChIInChI=1S/C16H21N5O3/c1-11-9-12(21-13(18-11)5-6-17-21)14(22)20-7-8-24-16(2,10-20)15(23)19(3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyRCXUNCZFXPFGHC-UHFFFAOYSA-N
XLogP0.36
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide?
The IUPAC name of N,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide (CID 110090796) is N,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for N,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide is Cc1cc(C(=O)N2CCOC(C)(C(=O)N(C)C)C2)n2nccc2n1.
What is the InChIKey of N,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide?
The InChIKey is RCXUNCZFXPFGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11-9-12(21-13(18-11)5-6-17-21)14(22)20-7-8-24-16(2,10-20)15(23)19(3)4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of N,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide?
N,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 110090796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).