N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide

C14H19N3O2 — CID 126438378

IUPACN-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc(-c2c(C)n[nH]c2C)o1
InChIInChI=1S/C14H19N3O2/c1-5-8(2)15-14(18)12-7-6-11(19-12)13-9(3)16-17-10(13)4/h6-8H,5H2,1-4H3,(H,15,18)(H,16,17)/t8-/m1/s1
InChIKeyMPLUGMVMMDVWGI-MRVPVSSYSA-N
MW261.32 g/mol
LogP2.81
Rot. Bonds4

About N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide

N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 126438378) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide
PubChem CID126438378
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc(-c2c(C)n[nH]c2C)o1
InChIInChI=1S/C14H19N3O2/c1-5-8(2)15-14(18)12-7-6-11(19-12)13-9(3)16-17-10(13)4/h6-8H,5H2,1-4H3,(H,15,18)(H,16,17)/t8-/m1/s1
InChIKeyMPLUGMVMMDVWGI-MRVPVSSYSA-N
XLogP2.81
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethoxyfuran-2-carboxamide
CID 45193829
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide
CID 97318613
N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82118234
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide
CID 94197302
5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid
CID 122638653
5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94216568
N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 53036069
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
5-(2,6-dichlorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 17015033
N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 95056556
N-[(2R)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 95056555

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide (CID 126438378) is N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide is CC[C@@H](C)NC(=O)c1ccc(-c2c(C)n[nH]c2C)o1.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide?
The InChIKey is MPLUGMVMMDVWGI-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-8(2)15-14(18)12-7-6-11(19-12)13-9(3)16-17-10(13)4/h6-8H,5H2,1-4H3,(H,15,18)(H,16,17)/t8-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide?
N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-(3,5-dimethyl-1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 126438378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).