7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H23N5O2 — CID 110100967

IUPAC7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c(C3CCCCN3CCO)ccnc12
InChIInChI=1S/C16H23N5O2/c1-19(2)16(23)12-11-18-21-14(6-7-17-15(12)21)13-5-3-4-8-20(13)9-10-22/h6-7,11,13,22H,3-5,8-10H2,1-2H3
InChIKeyZTIBNHKOJWRHJW-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.95
Rot. Bonds4

About 7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110100967) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110100967
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c(C3CCCCN3CCO)ccnc12
InChIInChI=1S/C16H23N5O2/c1-19(2)16(23)12-11-18-21-14(6-7-17-15(12)21)13-5-3-4-8-20(13)9-10-22/h6-7,11,13,22H,3-5,8-10H2,1-2H3
InChIKeyZTIBNHKOJWRHJW-UHFFFAOYSA-N
XLogP0.95
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110100967) is 7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnn2c(C3CCCCN3CCO)ccnc12.
What is the InChIKey of 7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZTIBNHKOJWRHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-19(2)16(23)12-11-18-21-14(6-7-17-15(12)21)13-5-3-4-8-20(13)9-10-22/h6-7,11,13,22H,3-5,8-10H2,1-2H3.
What are the key properties of 7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110100967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).