[1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone

C10H13N5O — CID 107501449

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)c2cn(CCN)cn2)cn1
InChIInChI=1S/C10H13N5O/c1-14-5-8(4-13-14)10(16)9-6-15(3-2-11)7-12-9/h4-7H,2-3,11H2,1H3
InChIKeyLBUHGXAMNVCAIL-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.19
Rot. Bonds4

About [1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone

[1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 107501449) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID107501449
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)c2cn(CCN)cn2)cn1
InChIInChI=1S/C10H13N5O/c1-14-5-8(4-13-14)10(16)9-6-15(3-2-11)7-12-9/h4-7H,2-3,11H2,1H3
InChIKeyLBUHGXAMNVCAIL-UHFFFAOYSA-N
XLogP-0.19
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-aminoethyl)imidazol-4-yl]-(3-fluoro-5-methylphenyl)methanone
CID 107501248
[1-(2-aminoethyl)imidazol-4-yl]-(2-ethylpyrazol-3-yl)methanone
CID 107501467
[1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone
CID 107501399
[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone
CID 107501641
3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82416925
[1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 107501265
[1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 107501668
1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 107498035
4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 107497233
[1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone
CID 107501563
pentyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499310
1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone
CID 107501388

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone (CID 107501449) is [1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)c2cn(CCN)cn2)cn1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is LBUHGXAMNVCAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-14-5-8(4-13-14)10(16)9-6-15(3-2-11)7-12-9/h4-7H,2-3,11H2,1H3.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone?
[1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 219.25 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 107501449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).