N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide

C16H23N3O2 — CID 70736847

IUPACN-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(CC)Cc2ccc(C)o2)n(C)n1
InChIInChI=1S/C16H23N3O2/c1-5-7-13-10-15(18(4)17-13)16(20)19(6-2)11-14-9-8-12(3)21-14/h8-10H,5-7,11H2,1-4H3
InChIKeyLPCXVUXQUGVPPS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.94
Rot. Bonds6

About N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide

N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide (PubChem CID 70736847) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide
PubChem CID70736847
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(CC)Cc2ccc(C)o2)n(C)n1
InChIInChI=1S/C16H23N3O2/c1-5-7-13-10-15(18(4)17-13)16(20)19(6-2)11-14-9-8-12(3)21-14/h8-10H,5-7,11H2,1-4H3
InChIKeyLPCXVUXQUGVPPS-UHFFFAOYSA-N
XLogP2.94
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494
1-methyl-N-[[5-(methylcarbamoyl)furan-2-yl]methyl]-3-propylpyrazole-5-carboxamide
CID 70723882
N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 70760646
N-(2-bromoethyl)-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 80661046
3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122498
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 52726689
N-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77089366
N-(2-ethylsulfanylethyl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 70733343
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 70719530
N-butyl-N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119787
(3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid
CID 97202279
(2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 95128950

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide (CID 70736847) is N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)N(CC)Cc2ccc(C)o2)n(C)n1.
What is the InChIKey of N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide?
The InChIKey is LPCXVUXQUGVPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-7-13-10-15(18(4)17-13)16(20)19(6-2)11-14-9-8-12(3)21-14/h8-10H,5-7,11H2,1-4H3.
What are the key properties of N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide?
N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 70736847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).