N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine

C8H11N3 — CID 134224296

IUPACN-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
SMILESC=Nc1n[nH]c(C)c1/C=C\C
InChIInChI=1S/C8H11N3/c1-4-5-7-6(2)10-11-8(7)9-3/h4-5H,3H2,1-2H3,(H,10,11)/b5-4-
InChIKeyKZTPMYXPUIWQPT-PLNGDYQASA-N
MW149.20 g/mol
LogP2.08
Rot. Bonds2

About N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine

N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine (PubChem CID 134224296) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine.

Molecular Properties

Compound NameN-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
PubChem CID134224296
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
SMILESC=Nc1n[nH]c(C)c1/C=C\C
InChIInChI=1S/C8H11N3/c1-4-5-7-6(2)10-11-8(7)9-3/h4-5H,3H2,1-2H3,(H,10,11)/b5-4-
InChIKeyKZTPMYXPUIWQPT-PLNGDYQASA-N
XLogP2.08
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine
CID 143156308
4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine
CID 143156309
N-[5-methyl-4-[(2Z,4E)-2,3,5-trifluorohepta-2,4-dien-4-yl]-1H-pyrazol-3-yl]methanimine
CID 144415697
4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine
CID 89088651
4-chloro-5-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1H-pyrazol-3-amine
CID 89153619
4-[(Z)-(1-amino-5-imino-3-methylpyrazol-4-ylidene)methyl]-3-methylpyrazole-1,5-diamine
CID 89832434
CID 90117477
CID 90117477
5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine
CID 118614865
(4E)-3-methyl-6,7-dihydro-2H-pyrazolo[3,4-b]azocin-8-amine
CID 123219478
5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine
CID 123495409
3-N'-propan-2-yl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
CID 123660200
3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
CID 123762554

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine?
The IUPAC name of N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine (CID 134224296) is N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine.
What is the SMILES notation for N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine?
The canonical SMILES for N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine is C=Nc1n[nH]c(C)c1/C=C\C.
What is the InChIKey of N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine?
The InChIKey is KZTPMYXPUIWQPT-PLNGDYQASA-N. The full InChI is InChI=1S/C8H11N3/c1-4-5-7-6(2)10-11-8(7)9-3/h4-5H,3H2,1-2H3,(H,10,11)/b5-4-.
What are the key properties of N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine?
N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine has a molecular weight of 149.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine is sourced from PubChem (CID 134224296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).