N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide

C17H16N6O2 — CID 69379725

IUPACN-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)NCCc1ccccc1)c1cnccn1
InChIInChI=1S/C17H16N6O2/c24-16(14-10-18-8-9-19-14)22-13-11-21-23-15(13)17(25)20-7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyCBDPZLDSKORAQR-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.42
Rot. Bonds6

About N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide

N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 69379725) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID69379725
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC NameN-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)NCCc1ccccc1)c1cnccn1
InChIInChI=1S/C17H16N6O2/c24-16(14-10-18-8-9-19-14)22-13-11-21-23-15(13)17(25)20-7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyCBDPZLDSKORAQR-UHFFFAOYSA-N
XLogP1.42
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(propan-2-ylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 69379543
N-(2-benzylphenyl)pyrazine-2-carboxamide
CID 1247505
N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335951
N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 86631239
3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
CID 63795096
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
N-(2-sulfanylphenyl)pyrazine-2-carboxamide
CID 136757506
N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide
CID 49003633
N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 59733537
2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
CID 65346215
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 47043769
N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 18155897

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide (CID 69379725) is N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide is O=C(Nc1cn[nH]c1C(=O)NCCc1ccccc1)c1cnccn1.
What is the InChIKey of N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is CBDPZLDSKORAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c24-16(14-10-18-8-9-19-14)22-13-11-21-23-15(13)17(25)20-7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide?
N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenylethylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 69379725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).