N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide

C10H18N4 — CID 10535830

IUPACN'-(5-butyl-1H-pyrazol-3-yl)propanimidamide
SMILESCCCCc1cc(/N=C(/N)CC)n[nH]1
InChIInChI=1S/C10H18N4/c1-3-5-6-8-7-10(14-13-8)12-9(11)4-2/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyYQBAZNUJBNLPMK-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.15
Rot. Bonds5

About N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide

N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide (PubChem CID 10535830) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide.

Molecular Properties

Compound NameN'-(5-butyl-1H-pyrazol-3-yl)propanimidamide
PubChem CID10535830
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-(5-butyl-1H-pyrazol-3-yl)propanimidamide
SMILESCCCCc1cc(/N=C(/N)CC)n[nH]1
InChIInChI=1S/C10H18N4/c1-3-5-6-8-7-10(14-13-8)12-9(11)4-2/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyYQBAZNUJBNLPMK-UHFFFAOYSA-N
XLogP2.15
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-Amino-5-tert-butylpyrazole
CID 522787
3,5-diethyl-1H-pyrazole
CID 4306367
3-ethyl-1H-pyrazol-5-amine
CID 21991095
3-(propan-2-yl)-1H-pyrazol-5-amine
CID 2769527
5-Propyl-1H-pyrazol-3-amine
CID 22265684
3-cyclopropyl-1H-pyrazol-5-amine
CID 2758014
3-butyl-1H-pyrazol-5-amine
CID 12209635
5-Cyclohexyl-1H-pyrazol-3-amine
CID 12831625
3-cyclobutyl-1H-pyrazol-5-amine
CID 22176774
5-cyclopentyl-1H-pyrazol-3-amine
CID 22176827
3-(2-methylpropyl)-1H-pyrazol-5-amine
CID 23552428
3-(3-methylbutyl)-1H-pyrazol-5-amine
CID 33787852

Frequently Asked Questions

What is the IUPAC name of N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide?
The IUPAC name of N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide (CID 10535830) is N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide.
What is the SMILES notation for N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide?
The canonical SMILES for N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide is CCCCc1cc(/N=C(/N)CC)n[nH]1.
What is the InChIKey of N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide?
The InChIKey is YQBAZNUJBNLPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-5-6-8-7-10(14-13-8)12-9(11)4-2/h7H,3-6H2,1-2H3,(H3,11,12,13,14).
What are the key properties of N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide?
N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide has a molecular weight of 194.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-butyl-1H-pyrazol-3-yl)propanimidamide is sourced from PubChem (CID 10535830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).