1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol

C12H17N5O — CID 62847006

IUPAC1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1cnc(CNCC(O)Cn2cccn2)cn1
InChIInChI=1S/C12H17N5O/c1-10-5-15-11(7-14-10)6-13-8-12(18)9-17-4-2-3-16-17/h2-5,7,12-13,18H,6,8-9H2,1H3
InChIKeyBGYAQNFPTQTZBP-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.13
Rot. Bonds6

About 1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol

1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 62847006) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID62847006
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1cnc(CNCC(O)Cn2cccn2)cn1
InChIInChI=1S/C12H17N5O/c1-10-5-15-11(7-14-10)6-13-8-12(18)9-17-4-2-3-16-17/h2-5,7,12-13,18H,6,8-9H2,1H3
InChIKeyBGYAQNFPTQTZBP-UHFFFAOYSA-N
XLogP0.13
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60901076
1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 82881683
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106044829
1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847369
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106372834
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 54903619
1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 103157723
1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60899710
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907
1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62848280
1-(2-butoxyethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847559

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol (CID 62847006) is 1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol is Cc1cnc(CNCC(O)Cn2cccn2)cn1.
What is the InChIKey of 1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is BGYAQNFPTQTZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-10-5-15-11(7-14-10)6-13-8-12(18)9-17-4-2-3-16-17/h2-5,7,12-13,18H,6,8-9H2,1H3.
What are the key properties of 1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 247.30 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 62847006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).