(1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine

C19H26N4O — CID 9118055

IUPAC(1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine
SMILESCc1cc(CN[C@H](C)c2ccco2)c(C)n1-c1ccnn1C(C)C
InChIInChI=1S/C19H26N4O/c1-13(2)23-19(8-9-21-23)22-14(3)11-17(16(22)5)12-20-15(4)18-7-6-10-24-18/h6-11,13,15,20H,12H2,1-5H3/t15-/m1/s1
InChIKeyIPMBTYSCXWCSAZ-OAHLLOKOSA-N
MW326.44 g/mol
LogP4.32
Rot. Bonds6

About (1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine

(1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine (PubChem CID 9118055) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine
PubChem CID9118055
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine
SMILESCc1cc(CN[C@H](C)c2ccco2)c(C)n1-c1ccnn1C(C)C
InChIInChI=1S/C19H26N4O/c1-13(2)23-19(8-9-21-23)22-14(3)11-17(16(22)5)12-20-15(4)18-7-6-10-24-18/h6-11,13,15,20H,12H2,1-5H3/t15-/m1/s1
InChIKeyIPMBTYSCXWCSAZ-OAHLLOKOSA-N
XLogP4.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79579138
N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 60664695
(1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81400661
N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 62135238
(1S)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914769
1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 103605606
(1R)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914770
(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402970
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403890
(1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81403197
1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181990
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81402958

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine (CID 9118055) is (1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine is Cc1cc(CN[C@H](C)c2ccco2)c(C)n1-c1ccnn1C(C)C.
What is the InChIKey of (1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is IPMBTYSCXWCSAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)23-19(8-9-21-23)22-14(3)11-17(16(22)5)12-20-15(4)18-7-6-10-24-18/h6-11,13,15,20H,12H2,1-5H3/t15-/m1/s1.
What are the key properties of (1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine?
(1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 326.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 9118055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).