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

C17H25N5O2 — CID 137018343

IUPACN-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CC)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C17H25N5O2/c1-3-9-21(4-2)17(24)13-11-19-22-14(10-15(23)20-16(13)22)12-5-7-18-8-6-12/h10-12,18H,3-9H2,1-2H3,(H,20,23)
InChIKeyDJYASZPIFZQORC-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.36
Rot. Bonds5

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

N-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018343) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018343
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CC)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C17H25N5O2/c1-3-9-21(4-2)17(24)13-11-19-22-14(10-15(23)20-16(13)22)12-5-7-18-8-6-12/h10-12,18H,3-9H2,1-2H3,(H,20,23)
InChIKeyDJYASZPIFZQORC-UHFFFAOYSA-N
XLogP1.36
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018343) is N-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCN(CC)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of N-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DJYASZPIFZQORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-9-21(4-2)17(24)13-11-19-22-14(10-15(23)20-16(13)22)12-5-7-18-8-6-12/h10-12,18H,3-9H2,1-2H3,(H,20,23).
What are the key properties of N-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).