methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine

C21H30N8O — CID 145095906

IUPACmethanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCCN)c3)cn3nccc23)cn1.CO
InChIInChI=1S/C20H26N8.CH4O/c1-3-17(4-2)27-13-16(11-24-27)20-19-6-8-22-28(19)14-18(25-20)15-10-23-26(12-15)9-5-7-21;1-2/h6,8,10-14,17H,3-5,7,9,21H2,1-2H3;2H,1H3
InChIKeyPXVVRQFXHZUJNI-UHFFFAOYSA-N
MW410.53 g/mol
LogP2.77
Rot. Bonds8

About methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine

methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine (PubChem CID 145095906) has the molecular formula C21H30N8O and a molecular weight of 410.53 g/mol. Its IUPAC name is methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Namemethanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine
PubChem CID145095906
Molecular FormulaC21H30N8O
Molecular Weight410.53 g/mol
Exact Mass410.25
IUPAC Namemethanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCCN)c3)cn3nccc23)cn1.CO
InChIInChI=1S/C20H26N8.CH4O/c1-3-17(4-2)27-13-16(11-24-27)20-19-6-8-22-28(19)14-18(25-20)15-10-23-26(12-15)9-5-7-21;1-2/h6,8,10-14,17H,3-5,7,9,21H2,1-2H3;2H,1H3
InChIKeyPXVVRQFXHZUJNI-UHFFFAOYSA-N
XLogP2.77
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
CID 121390932
(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
CID 121391105
(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121391064
(2R,3S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
CID 121391023
2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121378497
(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121378368
6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 121390926
[3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol
CID 121391076
6-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 121391046
1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one
CID 121378566
cis-(1R,2S)-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclopentan-1-ol
CID 121391065
2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclopentan-1-ol
CID 121378413

Frequently Asked Questions

What is the IUPAC name of methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine?
The IUPAC name of methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine (CID 145095906) is methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine?
The canonical SMILES for methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine is CCC(CC)n1cc(-c2nc(-c3cnn(CCCN)c3)cn3nccc23)cn1.CO.
What is the InChIKey of methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine?
The InChIKey is PXVVRQFXHZUJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8.CH4O/c1-3-17(4-2)27-13-16(11-24-27)20-19-6-8-22-28(19)14-18(25-20)15-10-23-26(12-15)9-5-7-21;1-2/h6,8,10-14,17H,3-5,7,9,21H2,1-2H3;2H,1H3.
What are the key properties of methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine?
methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine has a molecular weight of 410.53 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 145095906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).