1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol

C9H17N3O — CID 107892925

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1cn[nH]c1N
InChIInChI=1S/C9H17N3O/c1-3-4-6(2)8(13)7-5-11-12-9(7)10/h5-6,8,13H,3-4H2,1-2H3,(H3,10,11,12)
InChIKeyXNIPXKCNTNQPBT-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.46
Rot. Bonds4

About 1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol

1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol (PubChem CID 107892925) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol
PubChem CID107892925
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1cn[nH]c1N
InChIInChI=1S/C9H17N3O/c1-3-4-6(2)8(13)7-5-11-12-9(7)10/h5-6,8,13H,3-4H2,1-2H3,(H3,10,11,12)
InChIKeyXNIPXKCNTNQPBT-UHFFFAOYSA-N
XLogP1.46
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83161431
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1-(5-amino-1H-pyrazol-4-yl)-3-ethylpentan-1-ol
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3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid
CID 170823402
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(5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol
CID 65362475
1-(5-amino-1H-pyrazol-4-yl)-3-methylbut-3-en-1-ol
CID 79178902
2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol
CID 114684988
1-[2-amino-5-[1-[4-amino-3-(1-hydroxy-2-methylpentyl)phenyl]-2-methylpentyl]phenyl]-2-methylpentan-1-ol
CID 89000820
4-(2-ethyl-1-hydrazinylbutyl)-1H-pyrazol-5-amine
CID 105231014
4-(1-hydrazinyl-2-methylprop-2-enyl)-1H-pyrazol-5-amine
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CID 65361725

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol (CID 107892925) is 1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol is CCCC(C)C(O)c1cn[nH]c1N.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol?
The InChIKey is XNIPXKCNTNQPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-4-6(2)8(13)7-5-11-12-9(7)10/h5-6,8,13H,3-4H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol?
1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol is sourced from PubChem (CID 107892925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).