methanamine;4-phenyl-1H-pyrazole

C12H23N5 — CID 174608925

IUPACmethanamine;4-phenyl-1H-pyrazole
SMILESCN.CN.CN.c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C9H8N2.3CH5N/c1-2-4-8(5-3-1)9-6-10-11-7-9;3*1-2/h1-7H,(H,10,11);3*2H2,1H3
InChIKeyJIZOBLPFBXJTLG-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.80
Rot. Bonds1

About methanamine;4-phenyl-1H-pyrazole

methanamine;4-phenyl-1H-pyrazole (PubChem CID 174608925) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is methanamine;4-phenyl-1H-pyrazole.

Molecular Properties

Compound Namemethanamine;4-phenyl-1H-pyrazole
PubChem CID174608925
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Namemethanamine;4-phenyl-1H-pyrazole
SMILESCN.CN.CN.c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C9H8N2.3CH5N/c1-2-4-8(5-3-1)9-6-10-11-7-9;3*1-2/h1-7H,(H,10,11);3*2H2,1H3
InChIKeyJIZOBLPFBXJTLG-UHFFFAOYSA-N
XLogP0.80
TPSA106.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
4-[4-(1-phenylethyl)phenyl]-1H-pyrazole
CID 70840207
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
4-(2-bromo-4-phenylphenyl)-1H-pyrazole
CID 139298620
4-(1H-pyrazol-4-yl)benzenethiol
CID 175034762
4-phenyl-1H-pyrazole;4-phenyl-1-tritylpyrazole;hydrochloride
CID 158182364
1,1'-biphenyl;1H-pyrazole-4-carboxylic acid
CID 174549256
4-methyl-2-(1H-pyrazol-4-yl)quinoline
CID 170518667
N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine
CID 89308329
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]pyridine
CID 139298727
2-[1-[4-(1H-pyrazol-4-yl)phenyl]propyl]pyridine
CID 143373997
4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole
CID 141400691

Frequently Asked Questions

What is the IUPAC name of methanamine;4-phenyl-1H-pyrazole?
The IUPAC name of methanamine;4-phenyl-1H-pyrazole (CID 174608925) is methanamine;4-phenyl-1H-pyrazole.
What is the SMILES notation for methanamine;4-phenyl-1H-pyrazole?
The canonical SMILES for methanamine;4-phenyl-1H-pyrazole is CN.CN.CN.c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of methanamine;4-phenyl-1H-pyrazole?
The InChIKey is JIZOBLPFBXJTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.3CH5N/c1-2-4-8(5-3-1)9-6-10-11-7-9;3*1-2/h1-7H,(H,10,11);3*2H2,1H3.
What are the key properties of methanamine;4-phenyl-1H-pyrazole?
methanamine;4-phenyl-1H-pyrazole has a molecular weight of 237.35 g/mol, XLogP of 0.80, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;4-phenyl-1H-pyrazole is sourced from PubChem (CID 174608925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).