N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine

C18H27N3O2 — CID 95281810

IUPACN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine
SMILESCOc1c(CNCc2ccc([C@H]3C[C@H]3C)o2)c(C(C)C)nn1C
InChIInChI=1S/C18H27N3O2/c1-11(2)17-15(18(22-5)21(4)20-17)10-19-9-13-6-7-16(23-13)14-8-12(14)3/h6-7,11-12,14,19H,8-10H2,1-5H3/t12-,14+/m1/s1
InChIKeyTYFIMEVQDVXJFN-OCCSQVGLSA-N
MW317.43 g/mol
LogP3.56
Rot. Bonds7

About N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine

N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine (PubChem CID 95281810) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine
PubChem CID95281810
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine
SMILESCOc1c(CNCc2ccc([C@H]3C[C@H]3C)o2)c(C(C)C)nn1C
InChIInChI=1S/C18H27N3O2/c1-11(2)17-15(18(22-5)21(4)20-17)10-19-9-13-6-7-16(23-13)14-8-12(14)3/h6-7,11-12,14,19H,8-10H2,1-5H3/t12-,14+/m1/s1
InChIKeyTYFIMEVQDVXJFN-OCCSQVGLSA-N
XLogP3.56
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine with MolForge

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Related Compounds

2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
N-cyclopropyl-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16188732
3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}-N-[(5-methyl-2-furyl)methyl]propanamide
CID 16192319
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 20876954
N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780691
N-(furan-2-ylmethyl)-2-[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide
CID 72140959
(5-Ethylfuran-2-yl)-[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143331
3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405724
1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405740
1-(cyclopropylmethyl)-3-(ethoxymethyl)-5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97519901
1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(propan-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97519908

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine?
The IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine (CID 95281810) is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine.
What is the SMILES notation for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine?
The canonical SMILES for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine is COc1c(CNCc2ccc([C@H]3C[C@H]3C)o2)c(C(C)C)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine?
The InChIKey is TYFIMEVQDVXJFN-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-11(2)17-15(18(22-5)21(4)20-17)10-19-9-13-6-7-16(23-13)14-8-12(14)3/h6-7,11-12,14,19H,8-10H2,1-5H3/t12-,14+/m1/s1.
What are the key properties of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine?
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine has a molecular weight of 317.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine is sourced from PubChem (CID 95281810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).