(4,5-diamino-2-ethylpyrazol-3-yl)methanol

C6H12N4O — CID 23298701

IUPAC(4,5-diamino-2-ethylpyrazol-3-yl)methanol
SMILESCCn1nc(N)c(N)c1CO
InChIInChI=1S/C6H12N4O/c1-2-10-4(3-11)5(7)6(8)9-10/h11H,2-3,7H2,1H3,(H2,8,9)
InChIKeyUADWLGUWFPLDPF-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.44
Rot. Bonds2

About (4,5-diamino-2-ethylpyrazol-3-yl)methanol

(4,5-diamino-2-ethylpyrazol-3-yl)methanol (PubChem CID 23298701) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is (4,5-diamino-2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4,5-diamino-2-ethylpyrazol-3-yl)methanol
PubChem CID23298701
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name(4,5-diamino-2-ethylpyrazol-3-yl)methanol
SMILESCCn1nc(N)c(N)c1CO
InChIInChI=1S/C6H12N4O/c1-2-10-4(3-11)5(7)6(8)9-10/h11H,2-3,7H2,1H3,(H2,8,9)
InChIKeyUADWLGUWFPLDPF-UHFFFAOYSA-N
XLogP-0.44
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazole-5-methanol, 3-amino-1-methyl-
CID 60136547
(3-Amino-1-isopropyl-1H-pyrazol-5-yl)methanol
CID 50896811
(4,5-diamino-1-isopropyl-1H-pyrazol-3-yl)methanol
CID 9815341
4,5-diamino-1-methyl-1H-pyrazole-3-methanol
CID 10130017
4,5-diamino-1-ethyl-1H-pyrazole-3-methanol
CID 10154169
4,5-Diamino-3-methyl-1H-pyrazole-1-ethanol
CID 10197801
[4-Amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol
CID 11819275
2-(4,5-Diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride
CID 18769514
(3,4-Diamino-1-isopropyl-1H-pyrazol-5-yl)methanol
CID 23298683
(4,5-Diamino-2-propylpyrazol-3-yl)methanol
CID 23298688
(4,5-Diamino-2-methylpyrazol-3-yl)methanol
CID 23298689
(4,5-Diamino-1-tert-butylpyrazol-3-yl)methanol
CID 23496367

Frequently Asked Questions

What is the IUPAC name of (4,5-diamino-2-ethylpyrazol-3-yl)methanol?
The IUPAC name of (4,5-diamino-2-ethylpyrazol-3-yl)methanol (CID 23298701) is (4,5-diamino-2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for (4,5-diamino-2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for (4,5-diamino-2-ethylpyrazol-3-yl)methanol is CCn1nc(N)c(N)c1CO.
What is the InChIKey of (4,5-diamino-2-ethylpyrazol-3-yl)methanol?
The InChIKey is UADWLGUWFPLDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-2-10-4(3-11)5(7)6(8)9-10/h11H,2-3,7H2,1H3,(H2,8,9).
What are the key properties of (4,5-diamino-2-ethylpyrazol-3-yl)methanol?
(4,5-diamino-2-ethylpyrazol-3-yl)methanol has a molecular weight of 156.19 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diamino-2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 23298701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).