N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide

C14H20N6O — CID 107376316

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCc2cnn(C)c2)cn1
InChIInChI=1S/C14H20N6O/c1-3-5-15-13-9-17-12(8-18-13)14(21)16-6-4-11-7-19-20(2)10-11/h7-10H,3-6H2,1-2H3,(H,15,18)(H,16,21)
InChIKeyBMZRNFMUVKNZPA-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.00
Rot. Bonds7

About N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107376316) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107376316
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCc2cnn(C)c2)cn1
InChIInChI=1S/C14H20N6O/c1-3-5-15-13-9-17-12(8-18-13)14(21)16-6-4-11-7-19-20(2)10-11/h7-10H,3-6H2,1-2H3,(H,15,18)(H,16,21)
InChIKeyBMZRNFMUVKNZPA-UHFFFAOYSA-N
XLogP1.00
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
5-(propylamino)-N-(2-thiophen-3-ylethyl)pyrazine-2-carboxamide
CID 107375151
N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 109271001
5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide
CID 80681946
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 107375122
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 80691532
6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 112731793
5-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 113436378
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81234341
N-ethyl-6-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-3-carboxamide
CID 80688877

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide (CID 107376316) is N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCCc2cnn(C)c2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is BMZRNFMUVKNZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-5-15-13-9-17-12(8-18-13)14(21)16-6-4-11-7-19-20(2)10-11/h7-10H,3-6H2,1-2H3,(H,15,18)(H,16,21).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107376316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).