5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C18H19ClN4O3 — CID 50975004

IUPAC5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC1CC1)c1cc2n(n1)CCN(C(=O)C(O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C18H19ClN4O3/c19-12-3-1-11(2-4-12)16(24)18(26)22-7-8-23-14(10-22)9-15(21-23)17(25)20-13-5-6-13/h1-4,9,13,16,24H,5-8,10H2,(H,20,25)
InChIKeyOLHJGNSWOCJAKW-UHFFFAOYSA-N
MW374.83 g/mol
LogP1.50
Rot. Bonds4

About 5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50975004) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50975004
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC1CC1)c1cc2n(n1)CCN(C(=O)C(O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C18H19ClN4O3/c19-12-3-1-11(2-4-12)16(24)18(26)22-7-8-23-14(10-22)9-15(21-23)17(25)20-13-5-6-13/h1-4,9,13,16,24H,5-8,10H2,(H,20,25)
InChIKeyOLHJGNSWOCJAKW-UHFFFAOYSA-N
XLogP1.50
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95137597
N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95136435
(6S)-6-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99738797
N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 56745014
N-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014510
N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50968794
N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50982573
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 32584074
5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 56759126
2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 154845337
1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one
CID 90460896
5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
CID 159378418

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50975004) is 5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NC1CC1)c1cc2n(n1)CCN(C(=O)C(O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is OLHJGNSWOCJAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-12-3-1-11(2-4-12)16(24)18(26)22-7-8-23-14(10-22)9-15(21-23)17(25)20-13-5-6-13/h1-4,9,13,16,24H,5-8,10H2,(H,20,25).
What are the key properties of 5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50975004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).