4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol

C9H17N3O — CID 82407068

IUPAC4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol
SMILESCc1cn(C)nc1C(O)CCCN
InChIInChI=1S/C9H17N3O/c1-7-6-12(2)11-9(7)8(13)4-3-5-10/h6,8,13H,3-5,10H2,1-2H3
InChIKeyHCNPNNNLLQCLPF-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.50
Rot. Bonds4

About 4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol

4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol (PubChem CID 82407068) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol
PubChem CID82407068
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol
SMILESCc1cn(C)nc1C(O)CCCN
InChIInChI=1S/C9H17N3O/c1-7-6-12(2)11-9(7)8(13)4-3-5-10/h6,8,13H,3-5,10H2,1-2H3
InChIKeyHCNPNNNLLQCLPF-UHFFFAOYSA-N
XLogP0.50
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370413
(1S)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370414
(1R)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154828527
cyclohexyl(1-methyl-1H-pyrazol-3-yl)methanol
CID 65195367
(1-methyl-1H-pyrazol-5-yl)(piperidin-4-yl)methanol
CID 80560254
(4-ethyl-1-methyl-1H-pyrazol-3-yl)methanol
CID 105422553
(1S)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154832493
(1R)-1-(1,4-dimethyl-1H-pyrazol-3-yl)ethan-1-ol
CID 165723508
(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol
CID 139090699
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]but-2-en-1-ol
CID 101394454
2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481
1-[4-Methyl-1-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 130360620

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol?
The IUPAC name of 4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol (CID 82407068) is 4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol.
What is the SMILES notation for 4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol?
The canonical SMILES for 4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol is Cc1cn(C)nc1C(O)CCCN.
What is the InChIKey of 4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol?
The InChIKey is HCNPNNNLLQCLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-6-12(2)11-9(7)8(13)4-3-5-10/h6,8,13H,3-5,10H2,1-2H3.
What are the key properties of 4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol?
4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,4-dimethylpyrazol-3-yl)butan-1-ol is sourced from PubChem (CID 82407068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).