3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide

C9H15N5 — CID 145307272

IUPAC3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide
SMILESC/N=C(\C=C(C)N)Nc1cc(C)[nH]n1
InChIInChI=1S/C9H15N5/c1-6(10)4-8(11-3)12-9-5-7(2)13-14-9/h4-5H,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyWEEFYCZNAFJAJH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.02
Rot. Bonds2

About 3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide

3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide (PubChem CID 145307272) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide.

Molecular Properties

Compound Name3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide
PubChem CID145307272
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide
SMILESC/N=C(\C=C(C)N)Nc1cc(C)[nH]n1
InChIInChI=1S/C9H15N5/c1-6(10)4-8(11-3)12-9-5-7(2)13-14-9/h4-5H,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyWEEFYCZNAFJAJH-UHFFFAOYSA-N
XLogP1.02
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.02
H-Bond Donors ≤ 53
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

1-tert-Butyl-3-methyl-1H-pyrazol-5-amine
CID 737200
1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
Butanamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 5330971
(E)-3-(5-amino-3-methylpyrazol-1-yl)but-2-enenitrile
CID 854933
Guanidine, 1-tert-butyl-2-cyano-3-(1-ethyl-3-methyl-5-pyrazolyl)-
CID 3050769
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292
1-Sec-Butyl-3-Methyl-1H-Pyrazol-5-Amine
CID 19619868
1-(3-methyl-1H-pyrazol-5-yl)piperidin-4-amine
CID 75480354
N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 5246311
1-(5-methyl-1H-pyrazol-3-yl)piperazine
CID 62548256
N-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 54351446
1-(3-methyl-1H-pyrazol-5-yl)piperazine dihydrochloride
CID 126809354

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide?
The IUPAC name of 3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide (CID 145307272) is 3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide.
What is the SMILES notation for 3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide?
The canonical SMILES for 3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide is C/N=C(\C=C(C)N)Nc1cc(C)[nH]n1.
What is the InChIKey of 3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide?
The InChIKey is WEEFYCZNAFJAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-6(10)4-8(11-3)12-9-5-7(2)13-14-9/h4-5H,10H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide?
3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide has a molecular weight of 193.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide is sourced from PubChem (CID 145307272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).