methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate

C24H26N2O2 — CID 89449181

IUPACmethyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(-c3ccc(C4=C(N)C(C(C)C)N=C4)cc3)cc2)CC1
InChIInChI=1S/C24H26N2O2/c1-15(2)22-21(25)20(14-26-22)18-6-4-16(5-7-18)17-8-10-19(11-9-17)24(12-13-24)23(27)28-3/h4-11,14-15,22H,12-13,25H2,1-3H3
InChIKeyHOLKCSWBABJTRO-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.34
Rot. Bonds5

About methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate

methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate (PubChem CID 89449181) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate
PubChem CID89449181
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Namemethyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(-c3ccc(C4=C(N)C(C(C)C)N=C4)cc3)cc2)CC1
InChIInChI=1S/C24H26N2O2/c1-15(2)22-21(25)20(14-26-22)18-6-4-16(5-7-18)17-8-10-19(11-9-17)24(12-13-24)23(27)28-3/h4-11,14-15,22H,12-13,25H2,1-3H3
InChIKeyHOLKCSWBABJTRO-UHFFFAOYSA-N
XLogP4.34
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

CID 89411850
CID 89411850
5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-3-methyl-1,2-thiazole-4-carboxylic acid
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methyl 1-[4-[4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate
CID 123319492
methyl 1-[4-[4-(3-ethoxy-3-oxopropanoyl)phenyl]phenyl]cyclopropane-1-carboxylate
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CID 89449094
methyl 1-[4-[4-[3-methyl-4-[[(1S)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 89452967
methyl 1-[4-[4-[3-methyl-4-[(1-phenylcyclopropyl)oxycarbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
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methyl 3-(4-phenylphenyl)oxetane-3-carboxylate
CID 116873513
methyl 1-[4-(4,4-dimethoxycyclohexyl)phenyl]cyclopropane-1-carboxylate
CID 144672046
5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 71266196
methyl 1-[4-[4-[1-methyl-5-(phenylmethoxycarbonylamino)pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate (CID 89449181) is methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate is COC(=O)C1(c2ccc(-c3ccc(C4=C(N)C(C(C)C)N=C4)cc3)cc2)CC1.
What is the InChIKey of methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate?
The InChIKey is HOLKCSWBABJTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-15(2)22-21(25)20(14-26-22)18-6-4-16(5-7-18)17-8-10-19(11-9-17)24(12-13-24)23(27)28-3/h4-11,14-15,22H,12-13,25H2,1-3H3.
What are the key properties of methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate?
methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[4-(3-amino-2-propan-2-yl-2H-pyrrol-4-yl)phenyl]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 89449181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).