5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine

C12H20N4 — CID 137156149

IUPAC5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine
SMILES[H]/N=C(\C=C(/C)CC)c1c(NC)n[nH]c1CC
InChIInChI=1S/C12H20N4/c1-5-8(3)7-9(13)11-10(6-2)15-16-12(11)14-4/h7,13H,5-6H2,1-4H3,(H2,14,15,16)/b8-7+,13-9+
InChIKeyPOKNMQCVMYLTFE-NJHPPEEMSA-N
MW220.32 g/mol
LogP2.74
Rot. Bonds5

About 5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine

5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine (PubChem CID 137156149) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine
PubChem CID137156149
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine
SMILES[H]/N=C(\C=C(/C)CC)c1c(NC)n[nH]c1CC
InChIInChI=1S/C12H20N4/c1-5-8(3)7-9(13)11-10(6-2)15-16-12(11)14-4/h7,13H,5-6H2,1-4H3,(H2,14,15,16)/b8-7+,13-9+
InChIKeyPOKNMQCVMYLTFE-NJHPPEEMSA-N
XLogP2.74
TPSA64.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Amino-5-(3-(methylamino)propyl)-1H-pyrazole-4-carbonitrile
CID 2113258
5-tert-butyl-N-methyl-1H-pyrazol-3-amine
CID 13491754
5-cyclopropyl-N-methyl-1H-pyrazol-3-amine
CID 54595033
3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridine
CID 136308590
N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine
CID 70435083
4-[6-fluoro-3-methylidene-4-(trifluoromethyl)hepta-4,6-dien-2-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 123207904
N-methyl-4-[3-methylidene-4-(trifluoromethyl)hepta-4,6-dien-2-yl]-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 123340515
N-methyl-4-(2-methyl-3-methylidenehex-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 123530644
5-(2,2-difluorocyclopropyl)-N-methyl-1H-pyrazol-3-amine
CID 124178784
5-(1-fluorocyclopropyl)-N-methyl-1H-pyrazol-3-amine
CID 124179496
3,6-Dimethyl-4,7-dihydro-2h-pyrazolo[3,4-b]pyridine
CID 175679326
5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine
CID 115921335

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine (CID 137156149) is 5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine is [H]/N=C(\C=C(/C)CC)c1c(NC)n[nH]c1CC.
What is the InChIKey of 5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine?
The InChIKey is POKNMQCVMYLTFE-NJHPPEEMSA-N. The full InChI is InChI=1S/C12H20N4/c1-5-8(3)7-9(13)11-10(6-2)15-16-12(11)14-4/h7,13H,5-6H2,1-4H3,(H2,14,15,16)/b8-7+,13-9+.
What are the key properties of 5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine?
5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine has a molecular weight of 220.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 137156149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).