N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride

C8H15ClN4 — CID 19002153

IUPACN'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride
SMILESCC/C(N)=N\c1cc(CC)[nH]n1.Cl
InChIInChI=1S/C8H14N4.ClH/c1-3-6-5-8(12-11-6)10-7(9)4-2;/h5H,3-4H2,1-2H3,(H3,9,10,11,12);1H
InChIKeyPPDFLMOHHKZPNP-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.79
Rot. Bonds3

About N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride

N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride (PubChem CID 19002153) has the molecular formula C8H15ClN4 and a molecular weight of 202.69 g/mol. Its IUPAC name is N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride
PubChem CID19002153
Molecular FormulaC8H15ClN4
Molecular Weight202.69 g/mol
Exact Mass202.10
IUPAC NameN'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride
SMILESCC/C(N)=N\c1cc(CC)[nH]n1.Cl
InChIInChI=1S/C8H14N4.ClH/c1-3-6-5-8(12-11-6)10-7(9)4-2;/h5H,3-4H2,1-2H3,(H3,9,10,11,12);1H
InChIKeyPPDFLMOHHKZPNP-UHFFFAOYSA-N
XLogP1.79
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 51.79
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

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CID 10511594
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N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide
CID 10844796
N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 10607196
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide
CID 139034558
5-ethyl-1H-pyrazole-3-carboxylic acid
CID 4913402
5-(5-ethyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione
CID 23006789
3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 123836010
methyl 5-ethyl-1H-pyrazole-3-carboxylate
CID 43428294
N'-[5-(ethenoxymethyl)-1H-pyrazol-3-yl]-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
CID 123559514
N'-(2,3,5,6-tetrafluorophenyl)propanimidamide
CID 107646072

Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride?
The IUPAC name of N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride (CID 19002153) is N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride.
What is the SMILES notation for N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride?
The canonical SMILES for N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride is CC/C(N)=N\c1cc(CC)[nH]n1.Cl.
What is the InChIKey of N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride?
The InChIKey is PPDFLMOHHKZPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.ClH/c1-3-6-5-8(12-11-6)10-7(9)4-2;/h5H,3-4H2,1-2H3,(H3,9,10,11,12);1H.
What are the key properties of N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride?
N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride has a molecular weight of 202.69 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride is sourced from PubChem (CID 19002153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).