4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine

C10H15N3 — CID 89043606

IUPAC4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(CN2C=CCN2)=CC1
InChIInChI=1S/C10H15N3/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-4,7,10,12H,5-6,8,11H2
InChIKeyIBHQMKXQHLTDSA-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.53
Rot. Bonds2

About 4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine

4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 89043606) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine
PubChem CID89043606
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(CN2C=CCN2)=CC1
InChIInChI=1S/C10H15N3/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-4,7,10,12H,5-6,8,11H2
InChIKeyIBHQMKXQHLTDSA-UHFFFAOYSA-N
XLogP0.53
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-Difluoroethyl)-1,7a-dihydroindazol-5-amine
CID 163989332
3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-2,3-dihydro-1H-pyrazole
CID 177982660
Pyridazino[1,6-b]isoquinoline
CID 129876735
3-Cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole
CID 143926111
5,6-dihydro-4aH-benzo[d][2,3]benzodiazepine
CID 22397660
3,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047454
2,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047670
6-Tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 59640649
1,2,3,3a-Tetrahydropyrazolo[1,5-a]pyridine
CID 67250806
2-Cyclohexa-1,5-dien-1-yl-1,5-dihydropyrazole
CID 68070588
2-Propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 69017494
1-Methyl-2,3,4,8-tetrahydro-1,2-benzodiazepine
CID 69986764

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine (CID 89043606) is 4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine is NC1C=CC(CN2C=CCN2)=CC1.
What is the InChIKey of 4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is IBHQMKXQHLTDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-4,7,10,12H,5-6,8,11H2.
What are the key properties of 4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine?
4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 177.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89043606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).