3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C18H16ClN5O — CID 121483951

IUPAC3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCn2ncc(-c3cc(Cl)ccn3)c2C1
InChIInChI=1S/C18H16ClN5O/c19-13-6-7-20-16(10-13)15-11-21-24-9-8-23(12-17(15)24)18(25)22-14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,22,25)
InChIKeyBHTSIDQHXFQNRH-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.65
Rot. Bonds2

About 3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121483951) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121483951
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCn2ncc(-c3cc(Cl)ccn3)c2C1
InChIInChI=1S/C18H16ClN5O/c19-13-6-7-20-16(10-13)15-11-21-24-9-8-23(12-17(15)24)18(25)22-14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,22,25)
InChIKeyBHTSIDQHXFQNRH-UHFFFAOYSA-N
XLogP3.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484278
3-(3-bromophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483809
N-(3-chlorophenyl)-3-(2,3-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483950
3-(4-fluorophenyl)-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484513
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484269
N-(3-ethynyl-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484340
5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyrimidin-2-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 156772469
2-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397197
N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484074
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 108781376
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121483951) is 3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(Nc1ccccc1)N1CCn2ncc(-c3cc(Cl)ccn3)c2C1.
What is the InChIKey of 3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is BHTSIDQHXFQNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c19-13-6-7-20-16(10-13)15-11-21-24-9-8-23(12-17(15)24)18(25)22-14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,22,25).
What are the key properties of 3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121483951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).