N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H27N5O2 — CID 137018684

IUPACN-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N(C)C1CCCC1
InChIInChI=1S/C19H27N5O2/c1-12-17(19(26)23(2)14-5-3-4-6-14)18-21-16(25)11-15(24(18)22-12)13-7-9-20-10-8-13/h11,13-14,20H,3-10H2,1-2H3,(H,21,25)
InChIKeyMMQPCAPKJRIKOT-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.81
Rot. Bonds3

About N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018684) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018684
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N(C)C1CCCC1
InChIInChI=1S/C19H27N5O2/c1-12-17(19(26)23(2)14-5-3-4-6-14)18-21-16(25)11-15(24(18)22-12)13-7-9-20-10-8-13/h11,13-14,20H,3-10H2,1-2H3,(H,21,25)
InChIKeyMMQPCAPKJRIKOT-UHFFFAOYSA-N
XLogP1.81
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035921
US10118930, Example 429
CID 137018588
US10118930, Example 464
CID 137018756
US10118930, Example 30
CID 137018250
US10118930, Example 99
CID 137018285
US10118930, Example 366
CID 137018304
US10118930, Example 317
CID 137018316
US10118930, Example 96
CID 137018343
US10118930, Example 419
CID 137018361
US10118930, Example 420
CID 137018362
US10118930, Example 421
CID 137018363
US10118930, Example 422
CID 137018364

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018684) is N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N(C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MMQPCAPKJRIKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12-17(19(26)23(2)14-5-3-4-6-14)18-21-16(25)11-15(24(18)22-12)13-7-9-20-10-8-13/h11,13-14,20H,3-10H2,1-2H3,(H,21,25).
What are the key properties of N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).