N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide

C14H18N6O2 — CID 118739935

IUPACN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC2(O)CCN(c3cnccn3)C2)n1
InChIInChI=1S/C14H18N6O2/c1-19-6-2-11(18-19)13(21)17-9-14(22)3-7-20(10-14)12-8-15-4-5-16-12/h2,4-6,8,22H,3,7,9-10H2,1H3,(H,17,21)
InChIKeyIFEVIBAROFCCND-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.42
Rot. Bonds4

About N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide

N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 118739935) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide
PubChem CID118739935
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC2(O)CCN(c3cnccn3)C2)n1
InChIInChI=1S/C14H18N6O2/c1-19-6-2-11(18-19)13(21)17-9-14(22)3-7-20(10-14)12-8-15-4-5-16-12/h2,4-6,8,22H,3,7,9-10H2,1H3,(H,17,21)
InChIKeyIFEVIBAROFCCND-UHFFFAOYSA-N
XLogP-0.42
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide (CID 118739935) is N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NCC2(O)CCN(c3cnccn3)C2)n1.
What is the InChIKey of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is IFEVIBAROFCCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-19-6-2-11(18-19)13(21)17-9-14(22)3-7-20(10-14)12-8-15-4-5-16-12/h2,4-6,8,22H,3,7,9-10H2,1H3,(H,17,21).
What are the key properties of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide?
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 302.34 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118739935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).