6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide

C10H12N4 — CID 144714205

IUPAC6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1n[nH]c2c1C=CC(C)C=C2
InChIInChI=1S/C10H12N4/c1-6-2-4-7-8(5-3-6)13-14-9(7)10(11)12/h2-6H,1H3,(H3,11,12)(H,13,14)
InChIKeyWSDYYVUUHQTTNH-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.37
Rot. Bonds1

About 6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide

6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide (PubChem CID 144714205) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide.

Molecular Properties

Compound Name6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide
PubChem CID144714205
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1n[nH]c2c1C=CC(C)C=C2
InChIInChI=1S/C10H12N4/c1-6-2-4-7-8(5-3-6)13-14-9(7)10(11)12/h2-6H,1H3,(H3,11,12)(H,13,14)
InChIKeyWSDYYVUUHQTTNH-UHFFFAOYSA-N
XLogP1.37
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.37
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide?
The IUPAC name of 6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide (CID 144714205) is 6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide.
What is the SMILES notation for 6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide?
The canonical SMILES for 6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide is [H]/N=C(\N)c1n[nH]c2c1C=CC(C)C=C2.
What is the InChIKey of 6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide?
The InChIKey is WSDYYVUUHQTTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-6-2-4-7-8(5-3-6)13-14-9(7)10(11)12/h2-6H,1H3,(H3,11,12)(H,13,14).
What are the key properties of 6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide?
6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide has a molecular weight of 188.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide is sourced from PubChem (CID 144714205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).