methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate

C14H19N3O3 — CID 62903014

IUPACmethyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNc2cnn(C(C)C)c2)oc1C
InChIInChI=1S/C14H19N3O3/c1-9(2)17-8-11(6-16-17)15-7-12-5-13(10(3)20-12)14(18)19-4/h5-6,8-9,15H,7H2,1-4H3
InChIKeyNOKDZFQMTWETQW-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.76
Rot. Bonds5

About methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate (PubChem CID 62903014) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate
PubChem CID62903014
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNc2cnn(C(C)C)c2)oc1C
InChIInChI=1S/C14H19N3O3/c1-9(2)17-8-11(6-16-17)15-7-12-5-13(10(3)20-12)14(18)19-4/h5-6,8-9,15H,7H2,1-4H3
InChIKeyNOKDZFQMTWETQW-UHFFFAOYSA-N
XLogP2.76
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[(3,5-dimethylanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222394
methyl 5-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-2-methylfuran-3-carboxylate
CID 114985528
methyl 5-[(3-iodoanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222423
2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
CID 154882060
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 43230989
methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 43231961
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272
methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate
CID 78914081
methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate
CID 113253716
methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
CID 43222319
methyl 5-[(1-cyclobutylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908711

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate (CID 62903014) is methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNc2cnn(C(C)C)c2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate?
The InChIKey is NOKDZFQMTWETQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(2)17-8-11(6-16-17)15-7-12-5-13(10(3)20-12)14(18)19-4/h5-6,8-9,15H,7H2,1-4H3.
What are the key properties of methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 62903014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).