N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine

C12H13N5O — CID 43776859

IUPACN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine
SMILESCn1ccnc1C(Nc1cn[nH]c1)c1ccco1
InChIInChI=1S/C12H13N5O/c1-17-5-4-13-12(17)11(10-3-2-6-18-10)16-9-7-14-15-8-9/h2-8,11,16H,1H3,(H,14,15)
InChIKeyLMRRIJYIJYEKLI-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.94
Rot. Bonds4

About N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine (PubChem CID 43776859) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine
PubChem CID43776859
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine
SMILESCn1ccnc1C(Nc1cn[nH]c1)c1ccco1
InChIInChI=1S/C12H13N5O/c1-17-5-4-13-12(17)11(10-3-2-6-18-10)16-9-7-14-15-8-9/h2-8,11,16H,1H3,(H,14,15)
InChIKeyLMRRIJYIJYEKLI-UHFFFAOYSA-N
XLogP1.94
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43762276
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 43762493
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
CID 61463674
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43780865
3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
CID 43758594
4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
CID 43758801
2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 103478663
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine
CID 43767058
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide
CID 61464680
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine (CID 43776859) is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine is Cn1ccnc1C(Nc1cn[nH]c1)c1ccco1.
What is the InChIKey of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine?
The InChIKey is LMRRIJYIJYEKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-17-5-4-13-12(17)11(10-3-2-6-18-10)16-9-7-14-15-8-9/h2-8,11,16H,1H3,(H,14,15).
What are the key properties of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine?
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine has a molecular weight of 243.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43776859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).