5-methoxy-3,4-dihydropyrazole-2-carboximidamide

C5H10N4O — CID 142223895

IUPAC5-methoxy-3,4-dihydropyrazole-2-carboximidamide
SMILES[H]/N=C(\N)N1CCC(OC)=N1
InChIInChI=1S/C5H10N4O/c1-10-4-2-3-9(8-4)5(6)7/h2-3H2,1H3,(H3,6,7)
InChIKeyFUZSVEYXAXIWIP-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.45
Rot. Bonds

About 5-methoxy-3,4-dihydropyrazole-2-carboximidamide

5-methoxy-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 142223895) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-methoxy-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound Name5-methoxy-3,4-dihydropyrazole-2-carboximidamide
PubChem CID142223895
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name5-methoxy-3,4-dihydropyrazole-2-carboximidamide
SMILES[H]/N=C(\N)N1CCC(OC)=N1
InChIInChI=1S/C5H10N4O/c1-10-4-2-3-9(8-4)5(6)7/h2-3H2,1H3,(H3,6,7)
InChIKeyFUZSVEYXAXIWIP-UHFFFAOYSA-N
XLogP-0.45
TPSA74.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) carbamimidate
CID 19742634
5-[2-(aminomethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide
CID 175382479
2-oxoazetidine-1-carboximidamide
CID 118484842
2-methylideneazetidine-1-carboximidamide
CID 118492858
4-oxopiperidine-1-carboximidamide
CID 19089226
tert-butyl 5-methoxycarbonyloxy-3,4-dihydropyrazole-2-carboxylate
CID 70272122
4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide
CID 3043164
3-methoxyazetidine-1-carboximidamide;hydrochloride
CID 154776397
5-(2-hydroxyphenyl)-4,4-dimethyl-3H-pyrazole-2-carboximidamide;hydrochloride
CID 137131920
3-methoxypyridazine-4-carboximidamide
CID 80514231
5-methoxy-3,4-dihydropyrrol-2-imine
CID 135045116
bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid
CID 71755493

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of 5-methoxy-3,4-dihydropyrazole-2-carboximidamide (CID 142223895) is 5-methoxy-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for 5-methoxy-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for 5-methoxy-3,4-dihydropyrazole-2-carboximidamide is [H]/N=C(\N)N1CCC(OC)=N1.
What is the InChIKey of 5-methoxy-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is FUZSVEYXAXIWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-10-4-2-3-9(8-4)5(6)7/h2-3H2,1H3,(H3,6,7).
What are the key properties of 5-methoxy-3,4-dihydropyrazole-2-carboximidamide?
5-methoxy-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 142.16 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 142223895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).