N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide

C14H17N5O2 — CID 91776644

IUPACN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESCn1cc(C(NC(=O)c2cnccn2)C2CC(O)C2)cn1
InChIInChI=1S/C14H17N5O2/c1-19-8-10(6-17-19)13(9-4-11(20)5-9)18-14(21)12-7-15-2-3-16-12/h2-3,6-9,11,13,20H,4-5H2,1H3,(H,18,21)
InChIKeyWBHSTDMJPQQGHH-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.45
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 91776644) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID91776644
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESCn1cc(C(NC(=O)c2cnccn2)C2CC(O)C2)cn1
InChIInChI=1S/C14H17N5O2/c1-19-8-10(6-17-19)13(9-4-11(20)5-9)18-14(21)12-7-15-2-3-16-12/h2-3,6-9,11,13,20H,4-5H2,1H3,(H,18,21)
InChIKeyWBHSTDMJPQQGHH-UHFFFAOYSA-N
XLogP0.45
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91761841
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 91790041
1-cyclopropyl-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 91771002
5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide
CID 91773302
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 91768715
2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91763580
3-chloro-4-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91795698
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133
1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 91771585
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide
CID 91780833
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 91797284

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide (CID 91776644) is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide is Cn1cc(C(NC(=O)c2cnccn2)C2CC(O)C2)cn1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is WBHSTDMJPQQGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-19-8-10(6-17-19)13(9-4-11(20)5-9)18-14(21)12-7-15-2-3-16-12/h2-3,6-9,11,13,20H,4-5H2,1H3,(H,18,21).
What are the key properties of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide?
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91776644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).