2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

C10H20N4O3 — CID 107845380

IUPAC2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCc1nn(C)c(NC(CO)(CO)CO)c1N
InChIInChI=1S/C10H20N4O3/c1-3-7-8(11)9(14(2)13-7)12-10(4-15,5-16)6-17/h12,15-17H,3-6,11H2,1-2H3
InChIKeyVEBWICXYZMKEHH-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.31
Rot. Bonds6

About 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107845380) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107845380
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCc1nn(C)c(NC(CO)(CO)CO)c1N
InChIInChI=1S/C10H20N4O3/c1-3-7-8(11)9(14(2)13-7)12-10(4-15,5-16)6-17/h12,15-17H,3-6,11H2,1-2H3
InChIKeyVEBWICXYZMKEHH-UHFFFAOYSA-N
XLogP-1.31
TPSA116.56 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107845380) is 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is CCc1nn(C)c(NC(CO)(CO)CO)c1N.
What is the InChIKey of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is VEBWICXYZMKEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-3-7-8(11)9(14(2)13-7)12-10(4-15,5-16)6-17/h12,15-17H,3-6,11H2,1-2H3.
What are the key properties of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 244.29 g/mol, XLogP of -1.31, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107845380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).