4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine

C11H16N4 — CID 67714050

IUPAC4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine
SMILESCC1(Cc2ccn[nH]2)C=C(N)C(N)=CC1
InChIInChI=1S/C11H16N4/c1-11(6-8-3-5-14-15-8)4-2-9(12)10(13)7-11/h2-3,5,7H,4,6,12-13H2,1H3,(H,14,15)
InChIKeyDPFPXGZNZRIXAZ-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.05
Rot. Bonds2

About 4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine

4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine (PubChem CID 67714050) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine
PubChem CID67714050
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine
SMILESCC1(Cc2ccn[nH]2)C=C(N)C(N)=CC1
InChIInChI=1S/C11H16N4/c1-11(6-8-3-5-14-15-8)4-2-9(12)10(13)7-11/h2-3,5,7H,4,6,12-13H2,1H3,(H,14,15)
InChIKeyDPFPXGZNZRIXAZ-UHFFFAOYSA-N
XLogP1.05
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1H-pyrazol-5-ylmethanamine;dihydrochloride
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2,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine
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5-(2,2,2-trideuterioethyl)-1H-pyrazole
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CID 141300180
1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
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4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine
CID 130663973
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole
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3-methyl-2-N-(1H-pyrazol-5-ylmethyl)butane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine?
The IUPAC name of 4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine (CID 67714050) is 4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine.
What is the SMILES notation for 4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine?
The canonical SMILES for 4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine is CC1(Cc2ccn[nH]2)C=C(N)C(N)=CC1.
What is the InChIKey of 4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine?
The InChIKey is DPFPXGZNZRIXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-11(6-8-3-5-14-15-8)4-2-9(12)10(13)7-11/h2-3,5,7H,4,6,12-13H2,1H3,(H,14,15).
What are the key properties of 4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine?
4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine has a molecular weight of 204.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(1H-pyrazol-5-ylmethyl)cyclohexa-2,6-diene-1,2-diamine is sourced from PubChem (CID 67714050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).