4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol

C12H24N4O2 — CID 106243516

IUPAC4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C12H24N4O2/c1-8(2)16-12(11(13)9(3)15-16)14-6-5-10(17)7-18-4/h8,10,14,17H,5-7,13H2,1-4H3
InChIKeyKWGGZDJAZYERDP-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.16
Rot. Bonds7

About 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol

4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol (PubChem CID 106243516) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol
PubChem CID106243516
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C12H24N4O2/c1-8(2)16-12(11(13)9(3)15-16)14-6-5-10(17)7-18-4/h8,10,14,17H,5-7,13H2,1-4H3
InChIKeyKWGGZDJAZYERDP-UHFFFAOYSA-N
XLogP1.16
TPSA85.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol (CID 106243516) is 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol is COCC(O)CCNc1c(N)c(C)nn1C(C)C.
What is the InChIKey of 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol?
The InChIKey is KWGGZDJAZYERDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-8(2)16-12(11(13)9(3)15-16)14-6-5-10(17)7-18-4/h8,10,14,17H,5-7,13H2,1-4H3.
What are the key properties of 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol?
4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106243516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).