N-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide

C7H12N4 — CID 176526826

IUPACN-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide
SMILES[H]/N=C/N=C/C1=CNNC1CC
InChIInChI=1S/C7H12N4/c1-2-7-6(3-9-5-8)4-10-11-7/h3-5,7-8,10-11H,2H2,1H3/b8-5+,9-3+
InChIKeyXWCHBJDDPKVQRQ-MXJIWBSISA-N
MW152.20 g/mol
LogP0.43
Rot. Bonds3

About N-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide

N-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide (PubChem CID 176526826) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide.

Molecular Properties

Compound NameN-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide
PubChem CID176526826
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide
SMILES[H]/N=C/N=C/C1=CNNC1CC
InChIInChI=1S/C7H12N4/c1-2-7-6(3-9-5-8)4-10-11-7/h3-5,7-8,10-11H,2H2,1H3/b8-5+,9-3+
InChIKeyXWCHBJDDPKVQRQ-MXJIWBSISA-N
XLogP0.43
TPSA60.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide?
The IUPAC name of N-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide (CID 176526826) is N-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide.
What is the SMILES notation for N-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide?
The canonical SMILES for N-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide is [H]/N=C/N=C/C1=CNNC1CC.
What is the InChIKey of N-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide?
The InChIKey is XWCHBJDDPKVQRQ-MXJIWBSISA-N. The full InChI is InChI=1S/C7H12N4/c1-2-7-6(3-9-5-8)4-10-11-7/h3-5,7-8,10-11H,2H2,1H3/b8-5+,9-3+.
What are the key properties of N-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide?
N-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide has a molecular weight of 152.20 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]methanimidamide is sourced from PubChem (CID 176526826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).