N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H26N4O2 — CID 91843807

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CCC1=CCCCC1)C(=O)c1cnn2cc(CCO)cnc12
InChIInChI=1S/C19H26N4O2/c1-2-22(10-8-15-6-4-3-5-7-15)19(25)17-13-21-23-14-16(9-11-24)12-20-18(17)23/h6,12-14,24H,2-5,7-11H2,1H3
InChIKeyRCUJIVTZPOZJME-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.62
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 91843807) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID91843807
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CCC1=CCCCC1)C(=O)c1cnn2cc(CCO)cnc12
InChIInChI=1S/C19H26N4O2/c1-2-22(10-8-15-6-4-3-5-7-15)19(25)17-13-21-23-14-16(9-11-24)12-20-18(17)23/h6,12-14,24H,2-5,7-11H2,1H3
InChIKeyRCUJIVTZPOZJME-UHFFFAOYSA-N
XLogP2.62
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50964140
6-(diethylaminomethyl)-N,N-diethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702378
6-(2-hydroxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74233515
6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 58056251
(1S,6R)-9-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 56709865
6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109152727
6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 74243849
azonan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56711222
(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 125168724
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
CID 113159604
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70785631
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95398964

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 91843807) is N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CCC1=CCCCC1)C(=O)c1cnn2cc(CCO)cnc12.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RCUJIVTZPOZJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-22(10-8-15-6-4-3-5-7-15)19(25)17-13-21-23-14-16(9-11-24)12-20-18(17)23/h6,12-14,24H,2-5,7-11H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91843807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).