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

C13H18N6O — CID 106218117

IUPAC5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NC(C)c2cn[nH]c2)cn1
InChIInChI=1S/C13H18N6O/c1-3-4-14-12-8-15-11(7-16-12)13(20)19-9(2)10-5-17-18-6-10/h5-9H,3-4H2,1-2H3,(H,14,16)(H,17,18)(H,19,20)
InChIKeyLBVQQPZJSVYGPB-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.51
Rot. Bonds6

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

5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 106218117) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide
PubChem CID106218117
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NC(C)c2cn[nH]c2)cn1
InChIInChI=1S/C13H18N6O/c1-3-4-14-12-8-15-11(7-16-12)13(20)19-9(2)10-5-17-18-6-10/h5-9H,3-4H2,1-2H3,(H,14,16)(H,17,18)(H,19,20)
InChIKeyLBVQQPZJSVYGPB-UHFFFAOYSA-N
XLogP1.51
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(propylamino)-N-(1-pyridin-3-ylethyl)pyrazine-2-carboxamide
CID 107374495
5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide
CID 107374526
2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106215424
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107376665
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562
5-(ethylamino)-N-pentan-2-ylpyrazine-2-carboxamide
CID 107373939
N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374127
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376810
5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271171

Frequently Asked Questions

What is the IUPAC name of 5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide (CID 106218117) is 5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NC(C)c2cn[nH]c2)cn1.
What is the InChIKey of 5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is LBVQQPZJSVYGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-3-4-14-12-8-15-11(7-16-12)13(20)19-9(2)10-5-17-18-6-10/h5-9H,3-4H2,1-2H3,(H,14,16)(H,17,18)(H,19,20).
What are the key properties of 5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide?
5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106218117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).