2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide

C20H23ClN4O — CID 169245290

IUPAC2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide
SMILESCCC(C(=O)Nc1cc(C2CC2)[nH]n1)C1=CC2CC/C=C(Cl)\C=C/C2=N1
InChIInChI=1S/C20H23ClN4O/c1-2-15(20(26)23-19-11-17(24-25-19)12-6-7-12)18-10-13-4-3-5-14(21)8-9-16(13)22-18/h5,8-13,15H,2-4,6-7H2,1H3,(H2,23,24,25,26)/b9-8-,14-5+
InChIKeyUDLZKYPPCKGEBQ-KBZALZPKSA-N
MW370.88 g/mol
LogP4.68
Rot. Bonds5

About 2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide

2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide (PubChem CID 169245290) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide
PubChem CID169245290
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide
SMILESCCC(C(=O)Nc1cc(C2CC2)[nH]n1)C1=CC2CC/C=C(Cl)\C=C/C2=N1
InChIInChI=1S/C20H23ClN4O/c1-2-15(20(26)23-19-11-17(24-25-19)12-6-7-12)18-10-13-4-3-5-14(21)8-9-16(13)22-18/h5,8-13,15H,2-4,6-7H2,1H3,(H2,23,24,25,26)/b9-8-,14-5+
InChIKeyUDLZKYPPCKGEBQ-KBZALZPKSA-N
XLogP4.68
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide with MolForge

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methyl-4-oxoheptanamide
CID 169245129
2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176775
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide
CID 139558774
(Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide
CID 169245362
(Z)-4-amino-3-[(3-chlorophenyl)iminomethyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylbut-3-enamide
CID 176713770
2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
CID 162513055
(2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride
CID 119794268
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-5-yl)pyrazol-1-yl]propanamide
CID 171785269
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 22176930
[(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170952374
(2R)-2-[6-chloro-8-(trifluoromethoxy)imidazo[1,2-a]pyridin-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
CID 169245334
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide
CID 90932431

Frequently Asked Questions

What is the IUPAC name of 2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of 2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide (CID 169245290) is 2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for 2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for 2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide is CCC(C(=O)Nc1cc(C2CC2)[nH]n1)C1=CC2CC/C=C(Cl)\C=C/C2=N1.
What is the InChIKey of 2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide?
The InChIKey is UDLZKYPPCKGEBQ-KBZALZPKSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-2-15(20(26)23-19-11-17(24-25-19)12-6-7-12)18-10-13-4-3-5-14(21)8-9-16(13)22-18/h5,8-13,15H,2-4,6-7H2,1H3,(H2,23,24,25,26)/b9-8-,14-5+.
What are the key properties of 2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide?
2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide has a molecular weight of 370.88 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 169245290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).