3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine

C23H27N3O3 — CID 97253886

IUPAC3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine
SMILESCOc1cc(CNc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O3/c1-15-10-18(15)19-13-22(26(25-19)17-8-6-5-7-9-17)24-14-16-11-20(27-2)23(29-4)21(12-16)28-3/h5-9,11-13,15,18,24H,10,14H2,1-4H3/t15-,18-/m1/s1
InChIKeyHVZSOBCJUHDJDR-CRAIPNDOSA-N
MW393.49 g/mol
LogP4.63
Rot. Bonds8

About 3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine

3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine (PubChem CID 97253886) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine
PubChem CID97253886
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine
SMILESCOc1cc(CNc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O3/c1-15-10-18(15)19-13-22(26(25-19)17-8-6-5-7-9-17)24-14-16-11-20(27-2)23(29-4)21(12-16)28-3/h5-9,11-13,15,18,24H,10,14H2,1-4H3/t15-,18-/m1/s1
InChIKeyHVZSOBCJUHDJDR-CRAIPNDOSA-N
XLogP4.63
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine with MolForge

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Related Compounds

2-(4-methylphenyl)-5-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 1441414
1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
CID 70789183
N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide
CID 124593195
N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190
N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60607308
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377629
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 6485916
3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126474913
3-(5-methyltetrazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 78882875
2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 69312797
N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine
CID 169018051
3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23880433

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine?
The IUPAC name of 3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine (CID 97253886) is 3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine.
What is the SMILES notation for 3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine?
The canonical SMILES for 3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine is COc1cc(CNc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine?
The InChIKey is HVZSOBCJUHDJDR-CRAIPNDOSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-10-18(15)19-13-22(26(25-19)17-8-6-5-7-9-17)24-14-16-11-20(27-2)23(29-4)21(12-16)28-3/h5-9,11-13,15,18,24H,10,14H2,1-4H3/t15-,18-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine?
3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine has a molecular weight of 393.49 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine is sourced from PubChem (CID 97253886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).