N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide

C19H20N6O — CID 91904766

IUPACN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cnccn1
InChIInChI=1S/C19H20N6O/c26-19(17-12-20-8-9-21-17)22-15-7-4-10-25(13-15)18-11-16(23-24-18)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2,(H,22,26)(H,23,24)
InChIKeyAQDDJLJAZMAYTR-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.27
Rot. Bonds4

About N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide

N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 91904766) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
PubChem CID91904766
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cnccn1
InChIInChI=1S/C19H20N6O/c26-19(17-12-20-8-9-21-17)22-15-7-4-10-25(13-15)18-11-16(23-24-18)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2,(H,22,26)(H,23,24)
InChIKeyAQDDJLJAZMAYTR-UHFFFAOYSA-N
XLogP2.27
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide
CID 99740869
N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 53181017
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide
CID 91914548
1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea
CID 53181782
3-bromo-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740851
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 99756595
2,5-difluoro-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740772
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769
2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756157
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 91887783
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-1H-indole-5-carboxamide
CID 91887791
2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756596

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide (CID 91904766) is N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide is O=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cnccn1.
What is the InChIKey of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is AQDDJLJAZMAYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(17-12-20-8-9-21-17)22-15-7-4-10-25(13-15)18-11-16(23-24-18)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2,(H,22,26)(H,23,24).
What are the key properties of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide?
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 91904766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).