methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate

C10H17N3O3 — CID 107344620

IUPACmethyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(CCCCCO)cc1N
InChIInChI=1S/C10H17N3O3/c1-16-10(15)9-8(11)7-13(12-9)5-3-2-4-6-14/h7,14H,2-6,11H2,1H3
InChIKeyVINBQDWAAMOWEN-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.41
Rot. Bonds6

About methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate

methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate (PubChem CID 107344620) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate
PubChem CID107344620
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namemethyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(CCCCCO)cc1N
InChIInChI=1S/C10H17N3O3/c1-16-10(15)9-8(11)7-13(12-9)5-3-2-4-6-14/h7,14H,2-6,11H2,1H3
InChIKeyVINBQDWAAMOWEN-UHFFFAOYSA-N
XLogP0.41
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-1-hexylpyrazole-3-carboxylate
CID 107344558
ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate
CID 107344882
methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate
CID 107344544
ethyl 4-amino-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 107344782
methyl 4-amino-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrazole-3-carboxylate
CID 107344412
ethyl 4-amino-1-pentylpyrazole-3-carboxylate
CID 107344874
methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride
CID 146155798
methyl 4-amino-1-(2-phenylsulfanylethyl)pyrazole-3-carboxylate
CID 107344747
methyl 4-amino-1-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344720
4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098
methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate
CID 107344491
methyl 4-amino-1-[(2,3-difluorophenyl)methyl]pyrazole-3-carboxylate
CID 107344693

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate (CID 107344620) is methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate is COC(=O)c1nn(CCCCCO)cc1N.
What is the InChIKey of methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate?
The InChIKey is VINBQDWAAMOWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-16-10(15)9-8(11)7-13(12-9)5-3-2-4-6-14/h7,14H,2-6,11H2,1H3.
What are the key properties of methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate?
methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107344620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).