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

C13H26N4O — CID 66018131

IUPAC3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol
SMILESCCCc1nn(C)c(NCC(O)(CC)CC)c1N
InChIInChI=1S/C13H26N4O/c1-5-8-10-11(14)12(17(4)16-10)15-9-13(18,6-2)7-3/h15,18H,5-9,14H2,1-4H3
InChIKeySNVKZWOWHVECOP-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.92
Rot. Bonds7

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

3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol (PubChem CID 66018131) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol
PubChem CID66018131
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol
SMILESCCCc1nn(C)c(NCC(O)(CC)CC)c1N
InChIInChI=1S/C13H26N4O/c1-5-8-10-11(14)12(17(4)16-10)15-9-13(18,6-2)7-3/h15,18H,5-9,14H2,1-4H3
InChIKeySNVKZWOWHVECOP-UHFFFAOYSA-N
XLogP1.92
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol (CID 66018131) is 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol is CCCc1nn(C)c(NCC(O)(CC)CC)c1N.
What is the InChIKey of 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol?
The InChIKey is SNVKZWOWHVECOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-8-10-11(14)12(17(4)16-10)15-9-13(18,6-2)7-3/h15,18H,5-9,14H2,1-4H3.
What are the key properties of 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol?
3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol has a molecular weight of 254.38 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 66018131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).