2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol

C14H28N4O — CID 106251184

IUPAC2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCCc1nn(C)c(NCC(CC)(CC)CO)c1N
InChIInChI=1S/C14H28N4O/c1-5-8-11-12(15)13(18(4)17-11)16-9-14(6-2,7-3)10-19/h16,19H,5-10,15H2,1-4H3
InChIKeyHVUICCDVYKSVQV-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.17
Rot. Bonds8

About 2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol

2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106251184) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106251184
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCCc1nn(C)c(NCC(CC)(CC)CO)c1N
InChIInChI=1S/C14H28N4O/c1-5-8-11-12(15)13(18(4)17-11)16-9-14(6-2,7-3)10-19/h16,19H,5-10,15H2,1-4H3
InChIKeyHVUICCDVYKSVQV-UHFFFAOYSA-N
XLogP2.17
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol (CID 106251184) is 2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol is CCCc1nn(C)c(NCC(CC)(CC)CO)c1N.
What is the InChIKey of 2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is HVUICCDVYKSVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-8-11-12(15)13(18(4)17-11)16-9-14(6-2,7-3)10-19/h16,19H,5-10,15H2,1-4H3.
What are the key properties of 2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 268.40 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106251184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).