2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide

C10H18N4 — CID 64784152

IUPAC2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C10H18N4/c1-3-9(4-2)14-6-5-8(13-14)7-10(11)12/h5-6,9H,3-4,7H2,1-2H3,(H3,11,12)
InChIKeyKBNNKNLDYZRCQV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.72
Rot. Bonds5

About 2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide

2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide (PubChem CID 64784152) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide
PubChem CID64784152
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C10H18N4/c1-3-9(4-2)14-6-5-8(13-14)7-10(11)12/h5-6,9H,3-4,7H2,1-2H3,(H3,11,12)
InChIKeyKBNNKNLDYZRCQV-UHFFFAOYSA-N
XLogP1.72
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.72
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

4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
CID 116609163
3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116592810
1-(3,5-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 114976128
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 79078114
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64785449
4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 64784476
4-[(1-pentan-3-ylpyrazol-3-yl)methoxy]benzenecarbothioamide
CID 64801309
2-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]ethanol
CID 64783656

Frequently Asked Questions

What is the IUPAC name of 2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide?
The IUPAC name of 2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide (CID 64784152) is 2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide.
What is the SMILES notation for 2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide?
The canonical SMILES for 2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide is [H]/N=C(\N)Cc1ccn(C(CC)CC)n1.
What is the InChIKey of 2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide?
The InChIKey is KBNNKNLDYZRCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-9(4-2)14-6-5-8(13-14)7-10(11)12/h5-6,9H,3-4,7H2,1-2H3,(H3,11,12).
What are the key properties of 2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide?
2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide has a molecular weight of 194.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide is sourced from PubChem (CID 64784152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).