7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H20N6O — CID 136837885

IUPAC7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(C2CCNc3c(C(=O)N(C)C)cnn32)cn1
InChIInChI=1S/C14H20N6O/c1-4-19-9-10(7-16-19)12-5-6-15-13-11(8-17-20(12)13)14(21)18(2)3/h7-9,12,15H,4-6H2,1-3H3
InChIKeyOPXQQUWDKRQLOE-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.21
Rot. Bonds3

About 7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136837885) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136837885
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(C2CCNc3c(C(=O)N(C)C)cnn32)cn1
InChIInChI=1S/C14H20N6O/c1-4-19-9-10(7-16-19)12-5-6-15-13-11(8-17-20(12)13)14(21)18(2)3/h7-9,12,15H,4-6H2,1-3H3
InChIKeyOPXQQUWDKRQLOE-UHFFFAOYSA-N
XLogP1.21
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136837885) is 7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(C2CCNc3c(C(=O)N(C)C)cnn32)cn1.
What is the InChIKey of 7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OPXQQUWDKRQLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-4-19-9-10(7-16-19)12-5-6-15-13-11(8-17-20(12)13)14(21)18(2)3/h7-9,12,15H,4-6H2,1-3H3.
What are the key properties of 7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpyrazol-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136837885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).