6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H33N5O2 — CID 95207597

IUPAC6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N(CC)[C@H]3CCOC(C)(C)C3)cnn2c1
InChIInChI=1S/C21H33N5O2/c1-6-24(7-2)14-16-12-22-19-18(13-23-26(19)15-16)20(27)25(8-3)17-9-10-28-21(4,5)11-17/h12-13,15,17H,6-11,14H2,1-5H3/t17-/m0/s1
InChIKeyWSYZKYYRROVXPZ-KRWDZBQOSA-N
MW387.53 g/mol
LogP2.99
Rot. Bonds7

About 6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 95207597) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID95207597
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N(CC)[C@H]3CCOC(C)(C)C3)cnn2c1
InChIInChI=1S/C21H33N5O2/c1-6-24(7-2)14-16-12-22-19-18(13-23-26(19)15-16)20(27)25(8-3)17-9-10-28-21(4,5)11-17/h12-13,15,17H,6-11,14H2,1-5H3/t17-/m0/s1
InChIKeyWSYZKYYRROVXPZ-KRWDZBQOSA-N
XLogP2.99
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 95207597) is 6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)N(CC)[C@H]3CCOC(C)(C)C3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WSYZKYYRROVXPZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-6-24(7-2)14-16-12-22-19-18(13-23-26(19)15-16)20(27)25(8-3)17-9-10-28-21(4,5)11-17/h12-13,15,17H,6-11,14H2,1-5H3/t17-/m0/s1.
What are the key properties of 6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 95207597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).