1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine

C11H17N5 — CID 106568819

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCc1[nH]ncc1Cn1ccnc1NC(C)C
InChIInChI=1S/C11H17N5/c1-8(2)14-11-12-4-5-16(11)7-10-6-13-15-9(10)3/h4-6,8H,7H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyCNIIVBRXUFEJBE-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.78
Rot. Bonds4

About 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine

1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine (PubChem CID 106568819) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
PubChem CID106568819
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCc1[nH]ncc1Cn1ccnc1NC(C)C
InChIInChI=1S/C11H17N5/c1-8(2)14-11-12-4-5-16(11)7-10-6-13-15-9(10)3/h4-6,8H,7H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyCNIIVBRXUFEJBE-UHFFFAOYSA-N
XLogP1.78
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine
CID 62133116
1-(naphthalen-1-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106571365
1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106567183
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106579477
2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 119122377
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106565199
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one
CID 62939002
1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106580522
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106580568
1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106580897
1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine
CID 106581680

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine (CID 106568819) is 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine is Cc1[nH]ncc1Cn1ccnc1NC(C)C.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The InChIKey is CNIIVBRXUFEJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8(2)14-11-12-4-5-16(11)7-10-6-13-15-9(10)3/h4-6,8H,7H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106568819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).