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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Related Compounds

US10118930, Example 452
CID 137018609
US10118930, Example 453
CID 137018757
4-Ethyl-1-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidine-4-carbonitrile
CID 137049297
6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135410309
US10118930, Example 101
CID 137018280
US10118930, Example 352
CID 137018395
US10118930, Example 354
CID 137018397
US10118930, Example 353
CID 137018542
US10118930, Example 355
CID 137018549
US10118930, Example 103
CID 137018571
US10118930, Example 463
CID 137018607
US10118930, Example 326
CID 137018650

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).