N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine

C17H19N5 — CID 133380218

IUPACN-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine
SMILESCC(C)c1nn(-c2ccccc2)cc1CNc1cnccn1
InChIInChI=1S/C17H19N5/c1-13(2)17-14(10-20-16-11-18-8-9-19-16)12-22(21-17)15-6-4-3-5-7-15/h3-9,11-13H,10H2,1-2H3,(H,19,20)
InChIKeyGTDHTUCEDXWINZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.40
Rot. Bonds5

About N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine

N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine (PubChem CID 133380218) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine
PubChem CID133380218
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC NameN-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine
SMILESCC(C)c1nn(-c2ccccc2)cc1CNc1cnccn1
InChIInChI=1S/C17H19N5/c1-13(2)17-14(10-20-16-11-18-8-9-19-16)12-22(21-17)15-6-4-3-5-7-15/h3-9,11-13H,10H2,1-2H3,(H,19,20)
InChIKeyGTDHTUCEDXWINZ-UHFFFAOYSA-N
XLogP3.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 133380147
6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
CID 133420123
3-nitro-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 133420120
5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine
CID 133380160
6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine
CID 133380129
1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
CID 111118849
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine
CID 71845500
4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264925
2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid
CID 81317834
3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol
CID 111470664
[1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133380211
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(1-phenyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 86879760

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine (CID 133380218) is N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine is CC(C)c1nn(-c2ccccc2)cc1CNc1cnccn1.
What is the InChIKey of N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine?
The InChIKey is GTDHTUCEDXWINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-13(2)17-14(10-20-16-11-18-8-9-19-16)12-22(21-17)15-6-4-3-5-7-15/h3-9,11-13H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine?
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 133380218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).