methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate

C26H19ClF7N5O3 — CID 138532783

IUPACmethyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate
SMILESCOC(=O)N(C(=O)c1cc(-c2cnn(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)n3C3CC3)c2)ccc1Cl)C1(C#N)CC1
InChIInChI=1S/C26H19ClF7N5O3/c1-42-22(41)39(23(13-35)8-9-23)21(40)17-10-14(2-5-18(17)27)15-11-36-37(12-15)20-7-6-19(38(20)16-3-4-16)24(28,25(29,30)31)26(32,33)34/h2,5-7,10-12,16H,3-4,8-9H2,1H3
InChIKeyUJMOMQGXLLKAES-UHFFFAOYSA-N
MW617.91 g/mol
LogP6.88
Rot. Bonds6

About methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate

methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate (PubChem CID 138532783) has the molecular formula C26H19ClF7N5O3 and a molecular weight of 617.91 g/mol. Its IUPAC name is methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate.

Molecular Properties

Compound Namemethyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate
PubChem CID138532783
Molecular FormulaC26H19ClF7N5O3
Molecular Weight617.91 g/mol
Exact Mass617.11
IUPAC Namemethyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate
SMILESCOC(=O)N(C(=O)c1cc(-c2cnn(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)n3C3CC3)c2)ccc1Cl)C1(C#N)CC1
InChIInChI=1S/C26H19ClF7N5O3/c1-42-22(41)39(23(13-35)8-9-23)21(40)17-10-14(2-5-18(17)27)15-11-36-37(12-15)20-7-6-19(38(20)16-3-4-16)24(28,25(29,30)31)26(32,33)34/h2,5-7,10-12,16H,3-4,8-9H2,1H3
InChIKeyUJMOMQGXLLKAES-UHFFFAOYSA-N
XLogP6.88
TPSA93.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.91
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate?
The IUPAC name of methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate (CID 138532783) is methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate.
What is the SMILES notation for methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate?
The canonical SMILES for methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate is COC(=O)N(C(=O)c1cc(-c2cnn(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)n3C3CC3)c2)ccc1Cl)C1(C#N)CC1.
What is the InChIKey of methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate?
The InChIKey is UJMOMQGXLLKAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF7N5O3/c1-42-22(41)39(23(13-35)8-9-23)21(40)17-10-14(2-5-18(17)27)15-11-36-37(12-15)20-7-6-19(38(20)16-3-4-16)24(28,25(29,30)31)26(32,33)34/h2,5-7,10-12,16H,3-4,8-9H2,1H3.
What are the key properties of methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate?
methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate has a molecular weight of 617.91 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-chloro-5-[1-[1-cyclopropyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrol-2-yl]pyrazol-4-yl]benzoyl]-N-(1-cyanocyclopropyl)carbamate is sourced from PubChem (CID 138532783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).