2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine

C17H25N5 — CID 124972404

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine
SMILESCc1n[nH]c(C)c1-c1cnc([C@H]2CCCN(C(C)C)C2)cn1
InChIInChI=1S/C17H25N5/c1-11(2)22-7-5-6-14(10-22)15-8-19-16(9-18-15)17-12(3)20-21-13(17)4/h8-9,11,14H,5-7,10H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyKCSVUJHOHFEKPT-AWEZNQCLSA-N
MW299.42 g/mol
LogP3.07
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine

2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine (PubChem CID 124972404) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine
PubChem CID124972404
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine
SMILESCc1n[nH]c(C)c1-c1cnc([C@H]2CCCN(C(C)C)C2)cn1
InChIInChI=1S/C17H25N5/c1-11(2)22-7-5-6-14(10-22)15-8-19-16(9-18-15)17-12(3)20-21-13(17)4/h8-9,11,14H,5-7,10H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyKCSVUJHOHFEKPT-AWEZNQCLSA-N
XLogP3.07
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine (CID 124972404) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine is Cc1n[nH]c(C)c1-c1cnc([C@H]2CCCN(C(C)C)C2)cn1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine?
The InChIKey is KCSVUJHOHFEKPT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5/c1-11(2)22-7-5-6-14(10-22)15-8-19-16(9-18-15)17-12(3)20-21-13(17)4/h8-9,11,14H,5-7,10H2,1-4H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine has a molecular weight of 299.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 124972404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).