N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide

C7H12N4 — CID 54246930

IUPACN'-(4-methyl-1H-pyrazol-5-yl)propanimidamide
SMILESCCC(N)=Nc1[nH]ncc1C
InChIInChI=1S/C7H12N4/c1-3-6(8)10-7-5(2)4-9-11-7/h4H,3H2,1-2H3,(H3,8,9,10,11)
InChIKeyQTXOSXBDDCVVHY-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.12
Rot. Bonds2

About N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide

N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide (PubChem CID 54246930) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide.

Molecular Properties

Compound NameN'-(4-methyl-1H-pyrazol-5-yl)propanimidamide
PubChem CID54246930
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN'-(4-methyl-1H-pyrazol-5-yl)propanimidamide
SMILESCCC(N)=Nc1[nH]ncc1C
InChIInChI=1S/C7H12N4/c1-3-6(8)10-7-5(2)4-9-11-7/h4H,3H2,1-2H3,(H3,8,9,10,11)
InChIKeyQTXOSXBDDCVVHY-UHFFFAOYSA-N
XLogP1.12
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.12
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

N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide
CID 54250230
(Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine
CID 163302595
ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate
CID 10537068
N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride
CID 19002153
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830
1-(4-methyl-1H-pyrazol-5-yl)ethanamine
CID 82593631
N'-(1H-pyrazol-4-ylmethyl)propanimidamide
CID 63177896
ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 115630334
N'-(3-fluoro-4-methylphenyl)propanimidamide
CID 63178981
ethyl 5-[(E)-1-(hydroxyamino)ethylideneamino]-1H-pyrazole-4-carboxylate
CID 18355211

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide?
The IUPAC name of N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide (CID 54246930) is N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide.
What is the SMILES notation for N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide?
The canonical SMILES for N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide is CCC(N)=Nc1[nH]ncc1C.
What is the InChIKey of N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide?
The InChIKey is QTXOSXBDDCVVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-6(8)10-7-5(2)4-9-11-7/h4H,3H2,1-2H3,(H3,8,9,10,11).
What are the key properties of N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide?
N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide has a molecular weight of 152.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide is sourced from PubChem (CID 54246930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).