2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol

C12H16N4O — CID 121012987

IUPAC2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol
SMILESNc1nn(CCO)cc1NCc1ccccc1
InChIInChI=1S/C12H16N4O/c13-12-11(9-16(15-12)6-7-17)14-8-10-4-2-1-3-5-10/h1-5,9,14,17H,6-8H2,(H2,13,15)
InChIKeyDHXKBVLBHCDWDG-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.07
Rot. Bonds5

About 2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol

2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol (PubChem CID 121012987) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol
PubChem CID121012987
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol
SMILESNc1nn(CCO)cc1NCc1ccccc1
InChIInChI=1S/C12H16N4O/c13-12-11(9-16(15-12)6-7-17)14-8-10-4-2-1-3-5-10/h1-5,9,14,17H,6-8H2,(H2,13,15)
InChIKeyDHXKBVLBHCDWDG-UHFFFAOYSA-N
XLogP1.07
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylamino)-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432062
N-benzyl-1-ethyl-3-methylpyrazol-4-amine;hydrochloride
CID 126964772
3-N-benzyl-6-bromopyridine-2,3-diamine
CID 121384108
2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829351
[4-[(2-aminoanilino)methyl]phenyl]methanol
CID 107231520
3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 54594704
2-(5-amino-3-benzylpyrazol-1-yl)ethanol
CID 82078985
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
1-N,4-N-dibenzylnaphthalene-1,4-diamine
CID 139621317
3-[[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]methyl]phenol
CID 122168771
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol (CID 121012987) is 2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol is Nc1nn(CCO)cc1NCc1ccccc1.
What is the InChIKey of 2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol?
The InChIKey is DHXKBVLBHCDWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-12-11(9-16(15-12)6-7-17)14-8-10-4-2-1-3-5-10/h1-5,9,14,17H,6-8H2,(H2,13,15).
What are the key properties of 2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol?
2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol has a molecular weight of 232.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol is sourced from PubChem (CID 121012987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).